2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

C13H17F3N2O2S — CID 111540008

IUPAC2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)9-8-21-11(18-9)7-17-10(19)6-12(20)4-2-1-3-5-12/h8,20H,1-7H2,(H,17,19)
InChIKeyVVYDNWDHADXTLN-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.86
Rot. Bonds4

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

2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 111540008) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID111540008
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)9-8-21-11(18-9)7-17-10(19)6-12(20)4-2-1-3-5-12/h8,20H,1-7H2,(H,17,19)
InChIKeyVVYDNWDHADXTLN-UHFFFAOYSA-N
XLogP2.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide
CID 51128879
N-methyl-1-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide
CID 52537726
N-methyl-1-[[(3S)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide
CID 52537727
N-[2-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]ethyl]cyclohexanecarboxamide
CID 56205996
3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 71909517
(3R)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 97086417
(3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 97086418
4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 99608399
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 109898738
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide
CID 109898745
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 109898764
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 109899028

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 111540008) is 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is O=C(CC1(O)CCCCC1)NCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is VVYDNWDHADXTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)9-8-21-11(18-9)7-17-10(19)6-12(20)4-2-1-3-5-12/h8,20H,1-7H2,(H,17,19).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 322.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 111540008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).