1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide

C12H11N3O2S2 — CID 63823577

IUPAC1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCc1cscn1
InChIInChI=1S/C12H11N3O2S2/c13-5-10-3-1-2-4-11(10)8-19(16,17)15-6-12-7-18-9-14-12/h1-4,7,9,15H,6,8H2
InChIKeyCGEVMILVDVPARV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.63
Rot. Bonds5

About 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide

1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide (PubChem CID 63823577) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
PubChem CID63823577
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCc1cscn1
InChIInChI=1S/C12H11N3O2S2/c13-5-10-3-1-2-4-11(10)8-19(16,17)15-6-12-7-18-9-14-12/h1-4,7,9,15H,6,8H2
InChIKeyCGEVMILVDVPARV-UHFFFAOYSA-N
XLogP1.63
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823756
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746
2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 47984172
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391
1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 103830213
2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 122558057
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
CID 79529172
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
4-(cyanomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 79195968
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115360457
1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
CID 60729368

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide (CID 63823577) is 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCc1cscn1.
What is the InChIKey of 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
The InChIKey is CGEVMILVDVPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c13-5-10-3-1-2-4-11(10)8-19(16,17)15-6-12-7-18-9-14-12/h1-4,7,9,15H,6,8H2.
What are the key properties of 1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide has a molecular weight of 293.37 g/mol, XLogP of 1.63, 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-(1,3-thiazol-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63823577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).