N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol

C120H108N18O2S7 — CID 158657029

About N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol

N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol (PubChem CID 158657029) has the molecular formula C120H108N18O2S7 and a molecular weight of 2058.78 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol
• PubChem CID: 158657029
• Molecular Formula: C120H108N18O2S7
• Molecular Weight: 2058.78 g/mol
• Exact Mass: 2056.69
• IUPAC Name: N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol
• SMILES: CCC(CC)Nc1ccc(C#Cc2csc(C)n2)cn1.CC[C@@H](C)Nc1ccc(C#Cc2csc(C)n2)cn1.COCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cccc(C#N)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCCC3)nc2)cs1.Cc1nc(C#Cc2cncc(-c3ccc(CO)cc3)c2)cs1.Cc1nc(C#Cc2cncc(CCc3ccccc3)c2)cs1
• InChI: InChI=1S/C19H16N2OS.C19H16N2S.C18H11N3S.C18H14N2OS.C16H19N3S.C15H15N3S.C15H17N3S/c1-14-21-17(13-23-14)9-7-15-8-10-19(20-11-15)18-6-4-3-5-16(18)12-22-2;1-15-21-19(14-22-15)10-9-18-11-17(12-20-13-18)8-7-16-5-3-2-4-6-16;1-13-21-17(12-22-13)7-5-14-6-8-18(20-11-14)16-4-2-3-15(9-16)10-19;1-13-20-18(12-22-13)7-4-15-8-17(10-19-9-15)16-5-2-14(11-21)3-6-16;1-4-14(5-2)19-16-9-7-13(10-17-16)6-8-15-11-20-12(3)18-15;1-12-17-14(11-19-12)6-4-13-5-7-15(16-10-13)18-8-2-3-9-18;1-4-11(2)17-15-8-6-13(9-16-15)5-7-14-10-19-12(3)18-14/h3-6,8,10-11,13H,12H2,1-2H3;2-6,11-14H,7-8H2,1H3;2-4,6,8-9,11-12H,1H3;2-3,5-6,8-10,12,21H,11H2,1H3;7,9-11,14H,4-5H2,1-3H3,(H,17,19);5,7,10-11H,2-3,8-9H2,1H3;6,8-11H,4H2,1-3H3,(H,16,17)/t;;;;;;11-/m......1/s1
• InChIKey: ICGPLSFHNSFBFC-KACRINOLSA-N
• XLogP: 25.43
• TPSA: 261.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.78
LogP ≤ 5	25.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol?

The IUPAC name of N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol (CID 158657029) is N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol.

What is the SMILES notation for N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol?

The canonical SMILES for N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol is CCC(CC)Nc1ccc(C#Cc2csc(C)n2)cn1.CC[C@@H](C)Nc1ccc(C#Cc2csc(C)n2)cn1.COCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cccc(C#N)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCCC3)nc2)cs1.Cc1nc(C#Cc2cncc(-c3ccc(CO)cc3)c2)cs1.Cc1nc(C#Cc2cncc(CCc3ccccc3)c2)cs1.

What is the InChIKey of N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol?

The InChIKey is ICGPLSFHNSFBFC-KACRINOLSA-N. The full InChI is InChI=1S/C19H16N2OS.C19H16N2S.C18H11N3S.C18H14N2OS.C16H19N3S.C15H15N3S.C15H17N3S/c1-14-21-17(13-23-14)9-7-15-8-10-19(20-11-15)18-6-4-3-5-16(18)12-22-2;1-15-21-19(14-22-15)10-9-18-11-17(12-20-13-18)8-7-16-5-3-2-4-6-16;1-13-21-17(12-22-13)7-5-14-6-8-18(20-11-14)16-4-2-3-15(9-16)10-19;1-13-20-18(12-22-13)7-4-15-8-17(10-19-9-15)16-5-2-14(11-21)3-6-16;1-4-14(5-2)19-16-9-7-13(10-17-16)6-8-15-11-20-12(3)18-15;1-12-17-14(11-19-12)6-4-13-5-7-15(16-10-13)18-8-2-3-9-18;1-4-11(2)17-15-8-6-13(9-16-15)5-7-14-10-19-12(3)18-14/h3-6,8,10-11,13H,12H2,1-2H3;2-6,11-14H,7-8H2,1H3;2-4,6,8-9,11-12H,1H3;2-3,5-6,8-10,12,21H,11H2,1H3;7,9-11,14H,4-5H2,1-3H3,(H,17,19);5,7,10-11H,2-3,8-9H2,1H3;6,8-11H,4H2,1-3H3,(H,16,17)/t;;;;;;11-/m......1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol?

N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol has a molecular weight of 2058.78 g/mol, XLogP of 25.43, 17 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-[2-(methoxymethyl)phenyl]-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pentan-3-ylpyridin-2-amine;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;[4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 158657029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).