N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C18H20F3N3O2S — CID 166291810

IUPACN-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1C[C@H](CNC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C[C@H]1O
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)12-3-1-2-10(4-12)7-16-24-14(9-27-16)17(26)23-8-11-5-13(22)15(25)6-11/h1-4,9,11,13,15,25H,5-8,22H2,(H,23,26)/t11-,13+,15+/m0/s1
InChIKeyBTFMDMGYVCVDFM-NJZAAPMLSA-N
MW399.44 g/mol
LogP2.58
Rot. Bonds5

About N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 166291810) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID166291810
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC NameN-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1C[C@H](CNC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C[C@H]1O
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)12-3-1-2-10(4-12)7-16-24-14(9-27-16)17(26)23-8-11-5-13(22)15(25)6-11/h1-4,9,11,13,15,25H,5-8,22H2,(H,23,26)/t11-,13+,15+/m0/s1
InChIKeyBTFMDMGYVCVDFM-NJZAAPMLSA-N
XLogP2.58
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone
CID 138050782
N-(2,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3512008
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007
N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 156900161
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 110021501
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 167896675
2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119752294
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
4-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230199
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 68553109

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 166291810) is N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is N[C@@H]1C[C@H](CNC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C[C@H]1O.
What is the InChIKey of N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BTFMDMGYVCVDFM-NJZAAPMLSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)12-3-1-2-10(4-12)7-16-24-14(9-27-16)17(26)23-8-11-5-13(22)15(25)6-11/h1-4,9,11,13,15,25H,5-8,22H2,(H,23,26)/t11-,13+,15+/m0/s1.
What are the key properties of N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166291810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).