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

C13H13ClN2O3S2 — CID 70693128

IUPACN-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(Cl)c2)s1
InChIInChI=1S/C13H13ClN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
InChIKeyJKTIFEDMWIOIIM-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.13
Rot. Bonds3

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

N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 70693128) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID70693128
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC NameN-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(Cl)c2)s1
InChIInChI=1S/C13H13ClN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)
InChIKeyJKTIFEDMWIOIIM-UHFFFAOYSA-N
XLogP3.13
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide
CID 6852167
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-Cyano-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide
CID 70695188
N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 89493904
N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 127031017
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062821
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 51121371
N-(4,5-dimethylthiazol-2-yl)-2-(4-(ethylsulfonyl)phenyl)acetamide
CID 41566083

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 70693128) is N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(Cl)c2)s1.
What is the InChIKey of N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is JKTIFEDMWIOIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 344.85 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 70693128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).