N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

C14H13F3N2O3S2 — CID 70684690

IUPACN-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H13F3N2O3S2/c1-7-12(23-13(18-7)19-8(2)20)9-4-5-11(24(3,21)22)10(6-9)14(15,16)17/h4-6H,1-3H3,(H,18,19,20)
InChIKeyWYSQFPDONBSMIQ-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.50
Rot. Bonds3

About N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 70684690) has the molecular formula C14H13F3N2O3S2 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID70684690
Molecular FormulaC14H13F3N2O3S2
Molecular Weight378.40 g/mol
Exact Mass378.03
IUPAC NameN-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H13F3N2O3S2/c1-7-12(23-13(18-7)19-8(2)20)9-4-5-11(24(3,21)22)10(6-9)14(15,16)17/h4-6H,1-3H3,(H,18,19,20)
InChIKeyWYSQFPDONBSMIQ-UHFFFAOYSA-N
XLogP3.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[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
N-[5-(3-Cyano-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-acetamide
CID 70695188
(2S)-1-N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 70682592
US10301272, Example 201
CID 118160529
US10301272, Example 200
CID 118160549

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 70684690) is N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)s1.
What is the InChIKey of N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WYSQFPDONBSMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S2/c1-7-12(23-13(18-7)19-8(2)20)9-4-5-11(24(3,21)22)10(6-9)14(15,16)17/h4-6H,1-3H3,(H,18,19,20).
What are the key properties of N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 378.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 70684690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).