2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide

C20H25FN2OS — CID 166343545

IUPAC2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CCCC(C)(NC(=O)c2csc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C20H25FN2OS/c1-19(2)8-5-9-20(3,13-19)23-18(24)16-12-25-17(22-16)11-14-6-4-7-15(21)10-14/h4,6-7,10,12H,5,8-9,11,13H2,1-3H3,(H,23,24)
InChIKeyPSYVVNYQSSUUIQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.96
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide

2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 166343545) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID166343545
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Name2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CCCC(C)(NC(=O)c2csc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C20H25FN2OS/c1-19(2)8-5-9-20(3,13-19)23-18(24)16-12-25-17(22-16)11-14-6-4-7-15(21)10-14/h4,6-7,10,12H,5,8-9,11,13H2,1-3H3,(H,23,24)
InChIKeyPSYVVNYQSSUUIQ-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide
CID 110021509
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 110021501
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 110021543
7-[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]heptanoic acid
CID 120524058
2-[(3-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 110021697
4-[[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542701
2-[(3-fluorophenyl)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 99819984
2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide
CID 110021786
2-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 110021989
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 110021460
2-[[(3-fluorophenyl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 166343545) is 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide is CC1(C)CCCC(C)(NC(=O)c2csc(Cc3cccc(F)c3)n2)C1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PSYVVNYQSSUUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c1-19(2)8-5-9-20(3,13-19)23-18(24)16-12-25-17(22-16)11-14-6-4-7-15(21)10-14/h4,6-7,10,12H,5,8-9,11,13H2,1-3H3,(H,23,24).
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-(1,3,3-trimethylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166343545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).