2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide

C13H17F3N2O2S — CID 110014857

IUPAC2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide
SMILESCCC(NC(=O)C1CCCC1O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c1-2-8(12-18-10(6-21-12)13(14,15)16)17-11(20)7-4-3-5-9(7)19/h6-9,19H,2-5H2,1H3,(H,17,20)
InChIKeyXVSUJQGGVCGSEB-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.89
Rot. Bonds4

About 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide

2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide (PubChem CID 110014857) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide
PubChem CID110014857
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide
SMILESCCC(NC(=O)C1CCCC1O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c1-2-8(12-18-10(6-21-12)13(14,15)16)17-11(20)7-4-3-5-9(7)19/h6-9,19H,2-5H2,1H3,(H,17,20)
InChIKeyXVSUJQGGVCGSEB-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 71909517
2-(oxolan-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 71985930
2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906733
2-[(2S)-oxolan-2-yl]-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906734
2-[(2R)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906735
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906736
(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
1-[(2-Hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 109398697
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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide (CID 110014857) is 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide is CCC(NC(=O)C1CCCC1O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide?
The InChIKey is XVSUJQGGVCGSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-2-8(12-18-10(6-21-12)13(14,15)16)17-11(20)7-4-3-5-9(7)19/h6-9,19H,2-5H2,1H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110014857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).