N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

C13H16ClN5O2S — CID 7624764

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 7624764) has the molecular formula C13H16ClN5O2S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
• PubChem CID: 7624764
• Molecular Formula: C13H16ClN5O2S
• Molecular Weight: 341.82 g/mol
• Exact Mass: 341.07
• IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
• SMILES: CC[C@H](C)NC(=O)NC(=O)CSc1nc2ncc(Cl)cc2[nH]1
• InChI: InChI=1S/C13H16ClN5O2S/c1-3-7(2)16-12(21)18-10(20)6-22-13-17-9-4-8(14)5-15-11(9)19-13/h4-5,7H,3,6H2,1-2H3,(H,15,17,19)(H2,16,18,20,21)/t7-/m0/s1
• InChIKey: KQTVBZVEKMGEJY-ZETCQYMHSA-N
• XLogP: 2.33
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.82
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (CID 7624764) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is CC[C@H](C)NC(=O)NC(=O)CSc1nc2ncc(Cl)cc2[nH]1.

What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?

The InChIKey is KQTVBZVEKMGEJY-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H16ClN5O2S/c1-3-7(2)16-12(21)18-10(20)6-22-13-17-9-4-8(14)5-15-11(9)19-13/h4-5,7H,3,6H2,1-2H3,(H,15,17,19)(H2,16,18,20,21)/t7-/m0/s1.

What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?

N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 341.82 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7624764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).