(1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide

C11H17N3O2S — CID 155506112

IUPAC(1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCN(Cc1nccs1)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1
InChIInChI=1S/C11H17N3O2S/c1-14(6-10-13-2-3-17-10)11(16)7-4-8(12)9(15)5-7/h2-3,7-9,15H,4-6,12H2,1H3/t7-,8-,9-/m0/s1
InChIKeyQQOUEEKYYLQOIH-CIUDSAMLSA-N
MW255.34 g/mol
LogP0.20
Rot. Bonds3

About (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide

(1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 155506112) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID155506112
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCN(Cc1nccs1)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1
InChIInChI=1S/C11H17N3O2S/c1-14(6-10-13-2-3-17-10)11(16)7-4-8(12)9(15)5-7/h2-3,7-9,15H,4-6,12H2,1H3/t7-,8-,9-/m0/s1
InChIKeyQQOUEEKYYLQOIH-CIUDSAMLSA-N
XLogP0.20
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-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-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide
CID 119891599
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 119891584
(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95964792
N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-ynamide
CID 130614901
(1S,3S,4S)-3-amino-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-hydroxy-N-methylcyclopentane-1-carboxamide
CID 154818211
(4S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97275431
(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155940113
1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine
CID 127015558
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 110715819
N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 110715827
9-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983816
(3S)-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 96580639

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide (CID 155506112) is (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide is CN(Cc1nccs1)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1.
What is the InChIKey of (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is QQOUEEKYYLQOIH-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-14(6-10-13-2-3-17-10)11(16)7-4-8(12)9(15)5-7/h2-3,7-9,15H,4-6,12H2,1H3/t7-,8-,9-/m0/s1.
What are the key properties of (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide?
(1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 155506112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).