N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide

C15H13FN4O3S2 — CID 87291867

IUPACN-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCc1nc(NC(=O)n2ccnc2)sc1-c1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H13FN4O3S2/c1-9-13(10-3-4-11(16)12(7-10)25(2,22)23)24-14(18-9)19-15(21)20-6-5-17-8-20/h3-8H,1-2H3,(H,18,19,21)
InChIKeyDNVOYTDDLACVFG-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.94
Rot. Bonds3

About N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 87291867) has the molecular formula C15H13FN4O3S2 and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID87291867
Molecular FormulaC15H13FN4O3S2
Molecular Weight380.43 g/mol
Exact Mass380.04
IUPAC NameN-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCc1nc(NC(=O)n2ccnc2)sc1-c1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H13FN4O3S2/c1-9-13(10-3-4-11(16)12(7-10)25(2,22)23)24-14(18-9)19-15(21)20-6-5-17-8-20/h3-8H,1-2H3,(H,18,19,21)
InChIKeyDNVOYTDDLACVFG-UHFFFAOYSA-N
XLogP2.94
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 71480200
N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59323900
N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 89096129
N-[5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 53429448
N-[5-[2-(2-fluorophenyl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293675
1-ethyl-3-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]urea
CID 86598413
N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91284431
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
N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
CID 88547492
N-[4-methyl-5-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293655
N-[4-methyl-5-[3-(2-methylimidazol-1-yl)-4-methylsulfonylphenyl]-1,3-thiazol-2-yl]acetamide
CID 87061343
N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91606298

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 87291867) is N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is Cc1nc(NC(=O)n2ccnc2)sc1-c1ccc(F)c(S(C)(=O)=O)c1.
What is the InChIKey of N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is DNVOYTDDLACVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S2/c1-9-13(10-3-4-11(16)12(7-10)25(2,22)23)24-14(18-9)19-15(21)20-6-5-17-8-20/h3-8H,1-2H3,(H,18,19,21).
What are the key properties of N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 87291867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).