methyl 3-(1,3-thiazol-2-ylamino)propanoate

C7H10N2O2S — CID 60658875

IUPACmethyl 3-(1,3-thiazol-2-ylamino)propanoate
SMILESCOC(=O)CCNc1nccs1
InChIInChI=1S/C7H10N2O2S/c1-11-6(10)2-3-8-7-9-4-5-12-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyGFGMXVXWJNDRON-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.12
Rot. Bonds4

About methyl 3-(1,3-thiazol-2-ylamino)propanoate

methyl 3-(1,3-thiazol-2-ylamino)propanoate (PubChem CID 60658875) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 3-(1,3-thiazol-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,3-thiazol-2-ylamino)propanoate
PubChem CID60658875
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 3-(1,3-thiazol-2-ylamino)propanoate
SMILESCOC(=O)CCNc1nccs1
InChIInChI=1S/C7H10N2O2S/c1-11-6(10)2-3-8-7-9-4-5-12-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyGFGMXVXWJNDRON-UHFFFAOYSA-N
XLogP1.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(1,3-thiazol-2-ylamino)propanoate 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

tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
CID 59694819
CID 59694819
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-(3-chloro-4-methoxybutyl)-1,3-thiazol-2-amine
CID 106243006
N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694057
N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 43399053
N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide
CID 106337764
1-methyl-3-[3-(1,3-thiazol-2-ylamino)propylsulfanyl]urea
CID 88761395
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-thiazol-2-ylamino)propanoate?
The IUPAC name of methyl 3-(1,3-thiazol-2-ylamino)propanoate (CID 60658875) is methyl 3-(1,3-thiazol-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(1,3-thiazol-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(1,3-thiazol-2-ylamino)propanoate is COC(=O)CCNc1nccs1.
What is the InChIKey of methyl 3-(1,3-thiazol-2-ylamino)propanoate?
The InChIKey is GFGMXVXWJNDRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-11-6(10)2-3-8-7-9-4-5-12-7/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of methyl 3-(1,3-thiazol-2-ylamino)propanoate?
methyl 3-(1,3-thiazol-2-ylamino)propanoate has a molecular weight of 186.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-thiazol-2-ylamino)propanoate is sourced from PubChem (CID 60658875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).