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

C14H19F3N2O2S — CID 111540943

IUPAC2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCCC(NC(=O)CC1(O)CCCC1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H19F3N2O2S/c1-2-9(12-19-10(8-22-12)14(15,16)17)18-11(20)7-13(21)5-3-4-6-13/h8-9,21H,2-7H2,1H3,(H,18,20)
InChIKeyDRDGGVVDQBFZRM-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.42
Rot. Bonds5

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

2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (PubChem CID 111540943) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
PubChem CID111540943
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC Name2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCCC(NC(=O)CC1(O)CCCC1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H19F3N2O2S/c1-2-9(12-19-10(8-22-12)14(15,16)17)18-11(20)7-13(21)5-3-4-6-13/h8-9,21H,2-7H2,1H3,(H,18,20)
InChIKeyDRDGGVVDQBFZRM-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (CID 111540943) is 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is CCC(NC(=O)CC1(O)CCCC1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The InChIKey is DRDGGVVDQBFZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-2-9(12-19-10(8-22-12)14(15,16)17)18-11(20)7-13(21)5-3-4-6-13/h8-9,21H,2-7H2,1H3,(H,18,20).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide has a molecular weight of 336.38 g/mol, XLogP of 3.42, 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-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is sourced from PubChem (CID 111540943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).