5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide

C10H9N3O2S3 — CID 106267722

IUPAC5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ncc(CNS(=O)(=O)c2ccc(C#N)s2)s1
InChIInChI=1S/C10H9N3O2S3/c1-7-12-5-9(16-7)6-13-18(14,15)10-3-2-8(4-11)17-10/h2-3,5,13H,6H2,1H3
InChIKeyNZRKJACJDPKKIB-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.86
Rot. Bonds4

About 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106267722) has the molecular formula C10H9N3O2S3 and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID106267722
Molecular FormulaC10H9N3O2S3
Molecular Weight299.40 g/mol
Exact Mass298.99
IUPAC Name5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ncc(CNS(=O)(=O)c2ccc(C#N)s2)s1
InChIInChI=1S/C10H9N3O2S3/c1-7-12-5-9(16-7)6-13-18(14,15)10-3-2-8(4-11)17-10/h2-3,5,13H,6H2,1H3
InChIKeyNZRKJACJDPKKIB-UHFFFAOYSA-N
XLogP1.86
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
5-cyano-N-(1,3-thiazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106269137
5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 114166204
2-chloro-4-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103989194
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198
5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106269751
5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 61384794
5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106268817
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide (CID 106267722) is 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide is Cc1ncc(CNS(=O)(=O)c2ccc(C#N)s2)s1.
What is the InChIKey of 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is NZRKJACJDPKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S3/c1-7-12-5-9(16-7)6-13-18(14,15)10-3-2-8(4-11)17-10/h2-3,5,13H,6H2,1H3.
What are the key properties of 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106267722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).