N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C11H13F3N2O2S — CID 84550019

IUPACN-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1scnc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-8(19-5-15-9)10(18)16-6-1-3-7(17)4-2-6/h5-7,17H,1-4H2,(H,16,18)
InChIKeyQGIAHCFDQDHFSR-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.20
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84550019) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84550019
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC NameN-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1scnc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-8(19-5-15-9)10(18)16-6-1-3-7(17)4-2-6/h5-7,17H,1-4H2,(H,16,18)
InChIKeyQGIAHCFDQDHFSR-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide
CID 130735690
4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
CID 135150553
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
methyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 99978957
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558309
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558434
N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78844705
N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554018
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 154842826

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84550019) is N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NC1CCC(O)CC1)c1scnc1C(F)(F)F.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QGIAHCFDQDHFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)9-8(19-5-15-9)10(18)16-6-1-3-7(17)4-2-6/h5-7,17H,1-4H2,(H,16,18).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84550019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).