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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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).