3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine

C153H179N27O4S6 — CID 159768739

About 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine

3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine (PubChem CID 159768739) has the molecular formula C153H179N27O4S6 and a molecular weight of 2652.70 g/mol. Its IUPAC name is 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
• PubChem CID: 159768739
• Molecular Formula: C153H179N27O4S6
• Molecular Weight: 2652.70 g/mol
• Exact Mass: 2650.30
• IUPAC Name: 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
• SMILES: CC(C)(C)C#Cc1cc(CCc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)ccn1.CC(C)(C)C#Cc1cc(OCc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)ccn1.CC(C)(C)C#Cc1cccc(CCc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c1.CC(C)(C)C#Cc1cccc(OCc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c1.CC(C)c1ncc(-c2cnc(N)c(OCc3cncc(C#CC(C)(C)C)c3)c2)s1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cncc(C#CC(C)(C)C)c4)c3)s2)CC1
• InChI: InChI=1S/C27H32N4S.C26H31N5OS.C26H31N5S.C26H30N4OS.C25H29N5OS.C23H26N4OS/c1-27(2,3)12-9-20-6-4-5-19(15-20)7-8-22-16-23(17-30-25(22)28)24-18-31-26(32-24)21-10-13-29-14-11-21;1-26(2,3)8-5-18-11-19(14-28-13-18)17-32-22-12-21(15-29-24(22)27)23-16-30-25(33-23)20-6-9-31(4)10-7-20;1-26(2,3)10-6-22-14-18(7-13-29-22)4-5-20-15-21(16-30-24(20)27)23-17-31-25(32-23)19-8-11-28-12-9-19;1-26(2,3)10-7-18-5-4-6-22(13-18)31-17-21-14-20(15-29-24(21)27)23-16-30-25(32-23)19-8-11-28-12-9-19;1-25(2,3)8-4-20-13-21(7-11-28-20)31-16-19-12-18(14-29-23(19)26)22-15-30-24(32-22)17-5-9-27-10-6-17;1-15(2)22-27-13-20(29-22)18-9-19(21(24)26-12-18)28-14-17-8-16(10-25-11-17)6-7-23(3,4)5/h4-6,15-18,21,29H,7-8,10-11,13-14H2,1-3H3,(H2,28,30);11-16,20H,6-7,9-10,17H2,1-4H3,(H2,27,29);7,13-17,19,28H,4-5,8-9,11-12H2,1-3H3,(H2,27,30);4-6,13-16,19,28H,8-9,11-12,17H2,1-3H3,(H2,27,29);7,11-15,17,27H,5-6,9-10,16H2,1-3H3,(H2,26,29);8-13,15H,14H2,1-5H3,(H2,24,26)
• InChIKey: NFVMRUYBBNBFQE-UHFFFAOYSA-N
• XLogP: 30.38
• TPSA: 450.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.70
LogP ≤ 5	30.38
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?

The IUPAC name of 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine (CID 159768739) is 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine.

What is the SMILES notation for 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?

The canonical SMILES for 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine is CC(C)(C)C#Cc1cc(CCc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)ccn1.CC(C)(C)C#Cc1cc(OCc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)ccn1.CC(C)(C)C#Cc1cccc(CCc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c1.CC(C)(C)C#Cc1cccc(OCc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c1.CC(C)c1ncc(-c2cnc(N)c(OCc3cncc(C#CC(C)(C)C)c3)c2)s1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cncc(C#CC(C)(C)C)c4)c3)s2)CC1.

What is the InChIKey of 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?

The InChIKey is NFVMRUYBBNBFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4S.C26H31N5OS.C26H31N5S.C26H30N4OS.C25H29N5OS.C23H26N4OS/c1-27(2,3)12-9-20-6-4-5-19(15-20)7-8-22-16-23(17-30-25(22)28)24-18-31-26(32-24)21-10-13-29-14-11-21;1-26(2,3)8-5-18-11-19(14-28-13-18)17-32-22-12-21(15-29-24(22)27)23-16-30-25(33-23)20-6-9-31(4)10-7-20;1-26(2,3)10-6-22-14-18(7-13-29-22)4-5-20-15-21(16-30-24(20)27)23-17-31-25(32-23)19-8-11-28-12-9-19;1-26(2,3)10-7-18-5-4-6-22(13-18)31-17-21-14-20(15-29-24(21)27)23-16-30-25(32-23)19-8-11-28-12-9-19;1-25(2,3)8-4-20-13-21(7-11-28-20)31-16-19-12-18(14-29-23(19)26)22-15-30-24(32-22)17-5-9-27-10-6-17;1-15(2)22-27-13-20(29-22)18-9-19(21(24)26-12-18)28-14-17-8-16(10-25-11-17)6-7-23(3,4)5/h4-6,15-18,21,29H,7-8,10-11,13-14H2,1-3H3,(H2,28,30);11-16,20H,6-7,9-10,17H2,1-4H3,(H2,27,29);7,13-17,19,28H,4-5,8-9,11-12H2,1-3H3,(H2,27,30);4-6,13-16,19,28H,8-9,11-12,17H2,1-3H3,(H2,27,29);7,11-15,17,27H,5-6,9-10,16H2,1-3H3,(H2,26,29);8-13,15H,14H2,1-5H3,(H2,24,26).

What are the key properties of 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?

3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine has a molecular weight of 2652.70 g/mol, XLogP of 30.38, 30 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(3,3-dimethylbut-1-ynyl)phenoxy]methyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[3-(3,3-dimethylbut-1-ynyl)phenyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[2-[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]ethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-3-pyridinyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]oxymethyl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 159768739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).