1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea

C14H17ClN4O3S3 — CID 90530184

About 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea

1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (PubChem CID 90530184) has the molecular formula C14H17ClN4O3S3 and a molecular weight of 420.97 g/mol. Its IUPAC name is 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
• PubChem CID: 90530184
• Molecular Formula: C14H17ClN4O3S3
• Molecular Weight: 420.97 g/mol
• Exact Mass: 420.02
• IUPAC Name: 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
• SMILES: CC(C)NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(Cl)s1)CC2
• InChI: InChI=1S/C14H17ClN4O3S3/c1-8(2)16-13(20)18-14-17-9-5-6-19(7-10(9)23-14)25(21,22)12-4-3-11(15)24-12/h3-4,8H,5-7H2,1-2H3,(H2,16,17,18,20)
• InChIKey: VKYTVUDGIHCYON-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.97
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?

The IUPAC name of 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (CID 90530184) is 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?

The canonical SMILES for 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(Cl)s1)CC2.

What is the InChIKey of 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?

The InChIKey is VKYTVUDGIHCYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S3/c1-8(2)16-13(20)18-14-17-9-5-6-19(7-10(9)23-14)25(21,22)12-4-3-11(15)24-12/h3-4,8H,5-7H2,1-2H3,(H2,16,17,18,20).

What are the key properties of 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?

1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea has a molecular weight of 420.97 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 90530184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).