methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride

C7H12Cl2N2O2S — CID 70073965

IUPACmethyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
SMILESCOC(=O)[C@@H](N)Cc1cscn1.Cl.Cl
InChIInChI=1S/C7H10N2O2S.2ClH/c1-11-7(10)6(8)2-5-3-12-4-9-5;;/h3-4,6H,2,8H2,1H3;2*1H/t6-;;/m0../s1
InChIKeyDDWXUNRQWPZIPO-ILKKLZGPSA-N
MW259.16 g/mol
LogP1.03
Rot. Bonds3

About methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride

methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride (PubChem CID 70073965) has the molecular formula C7H12Cl2N2O2S and a molecular weight of 259.16 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
PubChem CID70073965
Molecular FormulaC7H12Cl2N2O2S
Molecular Weight259.16 g/mol
Exact Mass258.00
IUPAC Namemethyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
SMILESCOC(=O)[C@@H](N)Cc1cscn1.Cl.Cl
InChIInChI=1S/C7H10N2O2S.2ClH/c1-11-7(10)6(8)2-5-3-12-4-9-5;;/h3-4,6H,2,8H2,1H3;2*1H/t6-;;/m0../s1
InChIKeyDDWXUNRQWPZIPO-ILKKLZGPSA-N
XLogP1.03
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride 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

2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
CID 68809495
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoate;hydrochloride
CID 156702107
methyl 2-[[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 87579921
methyl (2S)-2-amino-3-phenylpropanoate;methyl (2S)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoate;1,3-thiazole-4-carbaldehyde;hydrochloride
CID 159708622
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate
CID 124604358
[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174645355
(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
CID 154886321
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
methyl (2S)-2-amino-3-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]propanoate
CID 66719274

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride (CID 70073965) is methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride is COC(=O)[C@@H](N)Cc1cscn1.Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride?
The InChIKey is DDWXUNRQWPZIPO-ILKKLZGPSA-N. The full InChI is InChI=1S/C7H10N2O2S.2ClH/c1-11-7(10)6(8)2-5-3-12-4-9-5;;/h3-4,6H,2,8H2,1H3;2*1H/t6-;;/m0../s1.
What are the key properties of methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride?
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride has a molecular weight of 259.16 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride is sourced from PubChem (CID 70073965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).