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

C16H19ClN4O3S2 — CID 90530211

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

1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (PubChem CID 90530211) has the molecular formula C16H19ClN4O3S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
• PubChem CID: 90530211
• Molecular Formula: C16H19ClN4O3S2
• Molecular Weight: 414.94 g/mol
• Exact Mass: 414.06
• IUPAC Name: 1-[5-(3-chlorophenyl)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)c1cccc(Cl)c1)CC2
• InChI: InChI=1S/C16H19ClN4O3S2/c1-10(2)18-15(22)20-16-19-13-6-7-21(9-14(13)25-16)26(23,24)12-5-3-4-11(17)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H2,18,19,20,22)
• InChIKey: GSFATDATLFUJEU-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.94
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (CID 90530211) is 1-[5-(3-chlorophenyl)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-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?

The canonical SMILES for 1-[5-(3-chlorophenyl)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)c1cccc(Cl)c1)CC2.

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

The InChIKey is GSFATDATLFUJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S2/c1-10(2)18-15(22)20-16-19-13-6-7-21(9-14(13)25-16)26(23,24)12-5-3-4-11(17)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H2,18,19,20,22).

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

1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea has a molecular weight of 414.94 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 90530211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).