4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide

C18H17ClN4O2S2 — CID 24552704

About 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 24552704) has the molecular formula C18H17ClN4O2S2 and a molecular weight of 420.95 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide
• PubChem CID: 24552704
• Molecular Formula: C18H17ClN4O2S2
• Molecular Weight: 420.95 g/mol
• Exact Mass: 420.05
• IUPAC Name: 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3cc(Cl)ccn3)s2)cs1
• InChI: InChI=1S/C18H17ClN4O2S2/c1-11-23-15(10-26-11)16-3-2-13(27-16)5-7-21-17(24)9-22-18(25)14-8-12(19)4-6-20-14/h2-4,6,8,10H,5,7,9H2,1H3,(H,21,24)(H,22,25)
• InChIKey: UVJUFUNYVJMAAO-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.95
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide?

The IUPAC name of 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide (CID 24552704) is 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide?

The canonical SMILES for 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide is Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3cc(Cl)ccn3)s2)cs1.

What is the InChIKey of 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide?

The InChIKey is UVJUFUNYVJMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S2/c1-11-23-15(10-26-11)16-3-2-13(27-16)5-7-21-17(24)9-22-18(25)14-8-12(19)4-6-20-14/h2-4,6,8,10H,5,7,9H2,1H3,(H,21,24)(H,22,25).

What are the key properties of 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide?

4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 420.95 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 24552704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).