5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C11H11N3O2S3 — CID 106267684

IUPAC5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2ccc(C#N)s2)n1
InChIInChI=1S/C11H11N3O2S3/c1-7(2)9-6-17-11(13-9)14-19(15,16)10-4-3-8(5-12)18-10/h3-4,6-7H,1-2H3,(H,13,14)
InChIKeyXYWSQVOQOGAZJL-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.00
Rot. Bonds4

About 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 106267684) has the molecular formula C11H11N3O2S3 and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID106267684
Molecular FormulaC11H11N3O2S3
Molecular Weight313.43 g/mol
Exact Mass313.00
IUPAC Name5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2ccc(C#N)s2)n1
InChIInChI=1S/C11H11N3O2S3/c1-7(2)9-6-17-11(13-9)14-19(15,16)10-4-3-8(5-12)18-10/h3-4,6-7H,1-2H3,(H,13,14)
InChIKeyXYWSQVOQOGAZJL-UHFFFAOYSA-N
XLogP3.00
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 106267684) is 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CC(C)c1csc(NS(=O)(=O)c2ccc(C#N)s2)n1.
What is the InChIKey of 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is XYWSQVOQOGAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S3/c1-7(2)9-6-17-11(13-9)14-19(15,16)10-4-3-8(5-12)18-10/h3-4,6-7H,1-2H3,(H,13,14).
What are the key properties of 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).