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

C16H13F3N4O3S2 — CID 71480200

IUPACN-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCc1nc(NC(=O)n2ccnc2)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O3S2/c1-9-13(27-14(21-9)22-15(24)23-6-5-20-8-23)10-3-4-12(28(2,25)26)11(7-10)16(17,18)19/h3-8H,1-2H3,(H,21,22,24)
InChIKeyUJMMIEKQSZGBLZ-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.82
Rot. Bonds3

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

N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 71480200) has the molecular formula C16H13F3N4O3S2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID71480200
Molecular FormulaC16H13F3N4O3S2
Molecular Weight430.43 g/mol
Exact Mass430.04
IUPAC NameN-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCc1nc(NC(=O)n2ccnc2)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O3S2/c1-9-13(27-14(21-9)22-15(24)23-6-5-20-8-23)10-3-4-12(28(2,25)26)11(7-10)16(17,18)19/h3-8H,1-2H3,(H,21,22,24)
InChIKeyUJMMIEKQSZGBLZ-UHFFFAOYSA-N
XLogP3.82
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 87291867
N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59323900
tert-butyl 2-[[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoylamino]acetate
CID 11454701
N-[4-[[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoylamino]butyl]acetamide
CID 11477412
N-[5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 53429448
N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 89096129
3-[5-[[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-1,3,4-thiadiazol-2-yl]propanoic acid
CID 87382773
N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91284431
N-[4-methyl-5-[3-(2-methylimidazol-1-yl)-4-methylsulfonylphenyl]-1,3-thiazol-2-yl]acetamide
CID 87061343
N-[5-[2-(2-fluorophenyl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293675
N-[4-methyl-5-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293655
5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-amine;N-[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide;cyclopentyl (2S)-2-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-3-phenylpropanoate
CID 159464355

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 71480200) is N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is Cc1nc(NC(=O)n2ccnc2)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is UJMMIEKQSZGBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S2/c1-9-13(27-14(21-9)22-15(24)23-6-5-20-8-23)10-3-4-12(28(2,25)26)11(7-10)16(17,18)19/h3-8H,1-2H3,(H,21,22,24).
What are the key properties of N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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]imidazole-1-carboxamide is sourced from PubChem (CID 71480200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).