2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol

C17H16ClN3O3S2 — CID 122178264

About 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol

2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol (PubChem CID 122178264) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol
• PubChem CID: 122178264
• Molecular Formula: C17H16ClN3O3S2
• Molecular Weight: 409.92 g/mol
• Exact Mass: 409.03
• IUPAC Name: 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol
• SMILES: CC(C)(O)c1ccc(-c2ncc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1
• InChI: InChI=1S/C17H16ClN3O3S2/c1-17(2,22)10-3-5-12(13(18)7-10)16-21-9-15(25-16)26(23,24)11-4-6-14(19)20-8-11/h3-9,22H,1-2H3,(H2,19,20)
• InChIKey: PKUYDBKKSMGBJL-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 106.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.92
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol?

The IUPAC name of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol (CID 122178264) is 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol.

What is the SMILES notation for 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol?

The canonical SMILES for 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol is CC(C)(O)c1ccc(-c2ncc(S(=O)(=O)c3ccc(N)nc3)s2)c(Cl)c1.

What is the InChIKey of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol?

The InChIKey is PKUYDBKKSMGBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c1-17(2,22)10-3-5-12(13(18)7-10)16-21-9-15(25-16)26(23,24)11-4-6-14(19)20-8-11/h3-9,22H,1-2H3,(H2,19,20).

What are the key properties of 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol?

2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol has a molecular weight of 409.92 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol is sourced from PubChem (CID 122178264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).