N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C111H126FN31O2S5 — CID 158542874

About N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 158542874) has the molecular formula C111H126FN31O2S5 and a molecular weight of 2105.78 g/mol. Its IUPAC name is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
• PubChem CID: 158542874
• Molecular Formula: C111H126FN31O2S5
• Molecular Weight: 2105.78 g/mol
• Exact Mass: 2103.93
• IUPAC Name: N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
• SMILES: CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)cs1.CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)nc2)cs1.CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs1)CCCC2.CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)c3)cs1)CCCC2.CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)cc3)cs1)CCCC2
• InChI: InChI=1S/C23H26N6OS.C23H28N6OS.C22H23FN6S.C22H24N6S.C21H25N7S/c1-4-29-22(17-7-5-6-8-18(17)27-29)26-23-25-19(13-31-23)16-9-10-20(21(11-16)30-3)28-12-15(2)24-14-28;1-7-29-21(11-20(27-29)23(3,4)5)26-22-25-17(13-31-22)16-8-9-18(19(10-16)30-6)28-12-15(2)24-14-28;1-3-29-21(16-6-4-5-7-18(16)27-29)26-22-25-19(12-30-22)15-8-9-20(17(23)10-15)28-11-14(2)24-13-28;1-3-28-21(18-6-4-5-7-19(18)26-28)25-22-24-20(13-29-22)16-8-10-17(11-9-16)27-12-15(2)23-14-27;1-6-28-19(9-17(26-28)21(3,4)5)25-20-24-16(12-29-20)15-7-8-18(22-10-15)27-11-14(2)23-13-27/h9-14H,4-8H2,1-3H3,(H,25,26);8-14H,7H2,1-6H3,(H,25,26);8-13H,3-7H2,1-2H3,(H,25,26);8-14H,3-7H2,1-2H3,(H,24,25);7-13H,6H2,1-5H3,(H,24,25)
• InChIKey: HOSYLLDSNDVFPK-UHFFFAOYSA-N
• XLogP: 26.10
• TPSA: 334.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2105.78
LogP ≤ 5	26.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?

The IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 158542874) is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)cs1.CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)nc2)cs1.CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs1)CCCC2.CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)c3)cs1)CCCC2.CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)cc3)cs1)CCCC2.

What is the InChIKey of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?

The InChIKey is HOSYLLDSNDVFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS.C23H28N6OS.C22H23FN6S.C22H24N6S.C21H25N7S/c1-4-29-22(17-7-5-6-8-18(17)27-29)26-23-25-19(13-31-23)16-9-10-20(21(11-16)30-3)28-12-15(2)24-14-28;1-7-29-21(11-20(27-29)23(3,4)5)26-22-25-17(13-31-22)16-8-9-18(19(10-16)30-6)28-12-15(2)24-14-28;1-3-29-21(16-6-4-5-7-18(16)27-29)26-22-25-19(12-30-22)15-8-9-20(17(23)10-15)28-11-14(2)24-13-28;1-3-28-21(18-6-4-5-7-19(18)26-28)25-22-24-20(13-29-22)16-8-10-17(11-9-16)27-12-15(2)23-14-27;1-6-28-19(9-17(26-28)21(3,4)5)25-20-24-16(12-29-20)15-7-8-18(22-10-15)27-11-14(2)23-13-27/h9-14H,4-8H2,1-3H3,(H,25,26);8-14H,7H2,1-6H3,(H,25,26);8-13H,3-7H2,1-2H3,(H,25,26);8-14H,3-7H2,1-2H3,(H,24,25);7-13H,6H2,1-5H3,(H,24,25).

What are the key properties of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 2105.78 g/mol, XLogP of 26.10, 27 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 158542874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).