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

C13H17F3N2O2S — CID 111540769

IUPAC2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)9-8-21-11(18-9)3-6-17-10(19)7-12(20)4-1-2-5-12/h8,20H,1-7H2,(H,17,19)
InChIKeyQLKFLHUKDPEZGJ-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.52
Rot. Bonds5

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

2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 111540769) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID111540769
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)9-8-21-11(18-9)3-6-17-10(19)7-12(20)4-1-2-5-12/h8,20H,1-7H2,(H,17,19)
InChIKeyQLKFLHUKDPEZGJ-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 75387953
N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801609
4,4,4-trifluoro-3-hydroxy-N-(4-methylpentyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 53549360
4,4,4-trifluoro-3-hydroxy-N-(7-methyloctyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 56083157
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 56205231
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
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentanecarboxamide
CID 71993371
Methyl 1-[[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]methyl]cyclopentane-1-carboxylate
CID 72112618
(3R)-4,4,4-trifluoro-3-hydroxy-N-(4-methylpentyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 95156303
(3S)-4,4,4-trifluoro-3-hydroxy-N-(4-methylpentyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 95156304
(3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 95203489

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (CID 111540769) is 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is O=C(CC1(O)CCCC1)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is QLKFLHUKDPEZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)9-8-21-11(18-9)3-6-17-10(19)7-12(20)4-1-2-5-12/h8,20H,1-7H2,(H,17,19).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 322.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 111540769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).