N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide

C14H13N3O3S2 — CID 70695188

IUPACN-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C#N)c2)s1
InChIInChI=1S/C14H13N3O3S2/c1-8-13(21-14(16-8)17-9(2)18)10-4-5-12(22(3,19)20)11(6-10)7-15/h4-6H,1-3H3,(H,16,17,18)
InChIKeyUNPCEUDDZMOCCV-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.35
Rot. Bonds3

About N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 70695188) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID70695188
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C#N)c2)s1
InChIInChI=1S/C14H13N3O3S2/c1-8-13(21-14(16-8)17-9(2)18)10-4-5-12(22(3,19)20)11(6-10)7-15/h4-6H,1-3H3,(H,16,17,18)
InChIKeyUNPCEUDDZMOCCV-UHFFFAOYSA-N
XLogP2.35
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 10344711
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[2-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 21914896
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 21915002
N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 57351276
n-[5-(4-Methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide
CID 70682591
N-[5-(4-Methanesulfonyl-3-trifluoromethyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide
CID 70684690
N-[4-methyl-5-(4-sulfamoyl-phenyl)-thiazol-2-yl]-acetamide
CID 70688908
N-[5-(3-Chloro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide
CID 70693128
N-[5-(3-Bromo-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide
CID 70693129
3-(4-methylphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 2526222
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 21915021
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062821

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 70695188) is N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C#N)c2)s1.
What is the InChIKey of N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is UNPCEUDDZMOCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-8-13(21-14(16-8)17-9(2)18)10-4-5-12(22(3,19)20)11(6-10)7-15/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 70695188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).