2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide

C18H19FN4OS — CID 146038181

IUPAC2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1nc(-c2ccc(F)cc2)[nH]c1C
InChIInChI=1S/C18H19FN4OS/c1-11-15(25-10-20-11)8-9-23(3)18(24)16-12(2)21-17(22-16)13-4-6-14(19)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,21,22)
InChIKeyLCFCIJDPMGVTQJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide

2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide (PubChem CID 146038181) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide
PubChem CID146038181
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1nc(-c2ccc(F)cc2)[nH]c1C
InChIInChI=1S/C18H19FN4OS/c1-11-15(25-10-20-11)8-9-23(3)18(24)16-12(2)21-17(22-16)13-4-6-14(19)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,21,22)
InChIKeyLCFCIJDPMGVTQJ-UHFFFAOYSA-N
XLogP3.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
CID 70748986
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344
N-methyl-3-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 118781736
2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70729016
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119068240
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azetidin-3-amine
CID 66188326
N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70747283
N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 77085118
N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
CID 134710256

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide (CID 146038181) is 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide is Cc1ncsc1CCN(C)C(=O)c1nc(-c2ccc(F)cc2)[nH]c1C.
What is the InChIKey of 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide?
The InChIKey is LCFCIJDPMGVTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-11-15(25-10-20-11)8-9-23(3)18(24)16-12(2)21-17(22-16)13-4-6-14(19)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide?
2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 146038181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).