1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide

C13H13N3O2S2 — CID 61068746

IUPAC1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2ccccc2C#N)cs1
InChIInChI=1S/C13H13N3O2S2/c1-10-16-13(8-19-10)7-15-20(17,18)9-12-5-3-2-4-11(12)6-14/h2-5,8,15H,7,9H2,1H3
InChIKeyVINRUMVEPFWRHP-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.94
Rot. Bonds5

About 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide

1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 61068746) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID61068746
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2ccccc2C#N)cs1
InChIInChI=1S/C13H13N3O2S2/c1-10-16-13(8-19-10)7-15-20(17,18)9-12-5-3-2-4-11(12)6-14/h2-5,8,15H,7,9H2,1H3
InChIKeyVINRUMVEPFWRHP-UHFFFAOYSA-N
XLogP1.94
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823577
(E)-N-[(2-cyanophenyl)methylsulfonyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 75363402
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
CID 47319374
1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 103830213
1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 106034147
3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 107106650
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391
1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
CID 65231409
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
CID 79529172
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
CID 115595237

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 61068746) is 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is Cc1nc(CNS(=O)(=O)Cc2ccccc2C#N)cs1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is VINRUMVEPFWRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-10-16-13(8-19-10)7-15-20(17,18)9-12-5-3-2-4-11(12)6-14/h2-5,8,15H,7,9H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 307.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 61068746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).