N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide

C58H67Cl3N12O4S8 — CID 158237898

About N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide (PubChem CID 158237898) has the molecular formula C58H67Cl3N12O4S8 and a molecular weight of 1359.15 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
• PubChem CID: 158237898
• Molecular Formula: C58H67Cl3N12O4S8
• Molecular Weight: 1359.15 g/mol
• Exact Mass: 1356.22
• IUPAC Name: N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
• SMILES: CCN(C(=O)CCSC)c1sc(-c2cccnc2)nc1Cl.CSCC(C)C(=O)N(C)c1sc(-c2cccnc2)nc1C.CSCC(C)C(=O)N(c1sc(-c2cccnc2)nc1Cl)C1CC1.CSCCC(=O)N(C)c1sc(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C16H18ClN3OS2.C15H19N3OS2.C14H16ClN3OS2.C13H14ClN3OS2/c1-10(9-22-2)15(21)20(12-5-6-12)16-13(17)19-14(23-16)11-4-3-7-18-8-11;1-10(9-20-4)14(19)18(3)15-11(2)17-13(21-15)12-6-5-7-16-8-12;1-3-18(11(19)6-8-20-2)14-12(15)17-13(21-14)10-5-4-7-16-9-10;1-17(10(18)5-7-19-2)13-11(14)16-12(20-13)9-4-3-6-15-8-9/h3-4,7-8,10,12H,5-6,9H2,1-2H3;5-8,10H,9H2,1-4H3;4-5,7,9H,3,6,8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3
• InChIKey: GFEPUPFYHNYTKX-UHFFFAOYSA-N
• XLogP: 15.37
• TPSA: 184.36 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1359.15
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?

The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide (CID 158237898) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide.

What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?

The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide is CCN(C(=O)CCSC)c1sc(-c2cccnc2)nc1Cl.CSCC(C)C(=O)N(C)c1sc(-c2cccnc2)nc1C.CSCC(C)C(=O)N(c1sc(-c2cccnc2)nc1Cl)C1CC1.CSCCC(=O)N(C)c1sc(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?

The InChIKey is GFEPUPFYHNYTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS2.C15H19N3OS2.C14H16ClN3OS2.C13H14ClN3OS2/c1-10(9-22-2)15(21)20(12-5-6-12)16-13(17)19-14(23-16)11-4-3-7-18-8-11;1-10(9-20-4)14(19)18(3)15-11(2)17-13(21-15)12-6-5-7-16-8-12;1-3-18(11(19)6-8-20-2)14-12(15)17-13(21-14)10-5-4-7-16-9-10;1-17(10(18)5-7-19-2)13-11(14)16-12(20-13)9-4-3-6-15-8-9/h3-4,7-8,10,12H,5-6,9H2,1-2H3;5-8,10H,9H2,1-4H3;4-5,7,9H,3,6,8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3.

What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide has a molecular weight of 1359.15 g/mol, XLogP of 15.37, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-cyclopropyl-2-methyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide;N,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 158237898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).