4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide

C14H13N3O2S2 — CID 106919755

IUPAC4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)ccc1C#N
InChIInChI=1S/C14H13N3O2S2/c1-9-7-11(6-5-10(9)8-15)21(18,19)17-14-16-12-3-2-4-13(12)20-14/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyCILQPVVRDLMYMD-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.61
Rot. Bonds3

About 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide

4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide (PubChem CID 106919755) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
PubChem CID106919755
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)ccc1C#N
InChIInChI=1S/C14H13N3O2S2/c1-9-7-11(6-5-10(9)8-15)21(18,19)17-14-16-12-3-2-4-13(12)20-14/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyCILQPVVRDLMYMD-UHFFFAOYSA-N
XLogP2.61
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919743
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709
3,4-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201612
2,3,5,6-tetramethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201617
2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyridine-3-sulfonamide
CID 106595764
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylsulfamoyl)benzoate
CID 95907167
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791735
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62152569
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
2,3,4,5,6-pentamethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201616
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053365

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide (CID 106919755) is 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)ccc1C#N.
What is the InChIKey of 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is CILQPVVRDLMYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9-7-11(6-5-10(9)8-15)21(18,19)17-14-16-12-3-2-4-13(12)20-14/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide?
4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).