2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide

C10H7ClN6O2S2 — CID 61216389

IUPAC2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccnc1-n1cncn1)c1cnc(Cl)s1
InChIInChI=1S/C10H7ClN6O2S2/c11-10-14-4-8(20-10)21(18,19)16-7-2-1-3-13-9(7)17-6-12-5-15-17/h1-6,16H
InChIKeySUIRQLATCOQZFN-UHFFFAOYSA-N
MW342.79 g/mol
LogP1.57
Rot. Bonds4

About 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61216389) has the molecular formula C10H7ClN6O2S2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide
PubChem CID61216389
Molecular FormulaC10H7ClN6O2S2
Molecular Weight342.79 g/mol
Exact Mass341.98
IUPAC Name2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccnc1-n1cncn1)c1cnc(Cl)s1
InChIInChI=1S/C10H7ClN6O2S2/c11-10-14-4-8(20-10)21(18,19)16-7-2-1-3-13-9(7)17-6-12-5-15-17/h1-6,16H
InChIKeySUIRQLATCOQZFN-UHFFFAOYSA-N
XLogP1.57
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide (CID 61216389) is 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1cccnc1-n1cncn1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is SUIRQLATCOQZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6O2S2/c11-10-14-4-8(20-10)21(18,19)16-7-2-1-3-13-9(7)17-6-12-5-15-17/h1-6,16H.
What are the key properties of 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 342.79 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61216389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).