N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide

C18H19F3N2OS — CID 121018813

IUPACN-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1nc(C2CCCCC2)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)14-9-5-4-8-13(14)17(24)22-10-16-23-15(11-25-16)12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,22,24)
InChIKeyNSSLIBSFZXKTAF-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.14
Rot. Bonds4

About N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 121018813) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID121018813
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1nc(C2CCCCC2)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)14-9-5-4-8-13(14)17(24)22-10-16-23-15(11-25-16)12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,22,24)
InChIKeyNSSLIBSFZXKTAF-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 50755143
2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
CID 119947232
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762
N-cyclohexyl-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114168
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99874598
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
ethane;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
CID 156804931
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide (CID 121018813) is N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1nc(C2CCCCC2)cs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is NSSLIBSFZXKTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c19-18(20,21)14-9-5-4-8-13(14)17(24)22-10-16-23-15(11-25-16)12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,22,24).
What are the key properties of N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 368.42 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 121018813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).