2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide

C21H26FN3O2S — CID 86961131

IUPAC2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCCC(C(=O)NC(C)C)C1
InChIInChI=1S/C21H26FN3O2S/c1-12(2)23-19(26)15-5-4-6-17(11-15)25-20(27)18-13(3)24-21(28-18)14-7-9-16(22)10-8-14/h7-10,12,15,17H,4-6,11H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyQLPOLPNTMKUQSF-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 86961131) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide
PubChem CID86961131
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC Name2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCCC(C(=O)NC(C)C)C1
InChIInChI=1S/C21H26FN3O2S/c1-12(2)23-19(26)15-5-4-6-17(11-15)25-20(27)18-13(3)24-21(28-18)14-7-9-16(22)10-8-14/h7-10,12,15,17H,4-6,11H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyQLPOLPNTMKUQSF-UHFFFAOYSA-N
XLogP4.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678890
N-[1-(1-adamantyl)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788166
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27675364
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119319611
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383903
2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 167940673
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86961225

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 86961131) is 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCCC(C(=O)NC(C)C)C1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QLPOLPNTMKUQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-12(2)23-19(26)15-5-4-6-17(11-15)25-20(27)18-13(3)24-21(28-18)14-7-9-16(22)10-8-14/h7-10,12,15,17H,4-6,11H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86961131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).