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

C13H17F3N2O2S — CID 111541107

IUPAC2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)CC1(O)CCCC1
InChIInChI=1S/C13H17F3N2O2S/c1-18(11(19)6-12(20)4-2-3-5-12)7-10-17-9(8-21-10)13(14,15)16/h8,20H,2-7H2,1H3
InChIKeyZKOVKDMGUBFYIF-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.82
Rot. Bonds4

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

2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 111541107) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID111541107
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)CC1(O)CCCC1
InChIInChI=1S/C13H17F3N2O2S/c1-18(11(19)6-12(20)4-2-3-5-12)7-10-17-9(8-21-10)13(14,15)16/h8,20H,2-7H2,1H3
InChIKeyZKOVKDMGUBFYIF-UHFFFAOYSA-N
XLogP2.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 56205231
1-[4-(2-Cyclopentylacetyl)piperazin-1-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 56205233
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 109635072
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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 109899934
2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide
CID 110014857
2-hydroxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentane-1-carboxamide
CID 110015923
(2-Hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 110016470
1-hydroxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentane-1-carboxamide
CID 111450807

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 111541107) is 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)CC1(O)CCCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is ZKOVKDMGUBFYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-18(11(19)6-12(20)4-2-3-5-12)7-10-17-9(8-21-10)13(14,15)16/h8,20H,2-7H2,1H3.
What are the key properties of 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 322.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 111541107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).