6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide

C12H10N4O2S2 — CID 115606342

IUPAC6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cn1
InChIInChI=1S/C12H10N4O2S2/c13-5-9-3-4-10(6-14-9)20(17,18)16-12-15-11(7-19-12)8-1-2-8/h3-4,6-8H,1-2H2,(H,15,16)
InChIKeySOMSNSLAOXFJAP-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.09
Rot. Bonds4

About 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide

6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 115606342) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
PubChem CID115606342
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cn1
InChIInChI=1S/C12H10N4O2S2/c13-5-9-3-4-10(6-14-9)20(17,18)16-12-15-11(7-19-12)8-1-2-8/h3-4,6-8H,1-2H2,(H,15,16)
InChIKeySOMSNSLAOXFJAP-UHFFFAOYSA-N
XLogP2.09
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 115606342) is 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cn1.
What is the InChIKey of 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is SOMSNSLAOXFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c13-5-9-3-4-10(6-14-9)20(17,18)16-12-15-11(7-19-12)8-1-2-8/h3-4,6-8H,1-2H2,(H,15,16).
What are the key properties of 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 306.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115606342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).