methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate

C8H12N2O2S — CID 119032026

IUPACmethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1csc(N)n1
InChIInChI=1S/C8H12N2O2S/c1-8(2,6(11)12-3)5-4-13-7(9)10-5/h4H,1-3H3,(H2,9,10)
InChIKeyVPDPRKSBSOSNEO-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.18
Rot. Bonds2

About methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate

methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate (PubChem CID 119032026) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate
PubChem CID119032026
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1csc(N)n1
InChIInChI=1S/C8H12N2O2S/c1-8(2,6(11)12-3)5-4-13-7(9)10-5/h4H,1-3H3,(H2,9,10)
InChIKeyVPDPRKSBSOSNEO-UHFFFAOYSA-N
XLogP1.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate 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-1,3-thiazol-4-yl)acetic acid
CID 34665
(alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid
CID 5486924
4-Thiazoleacetic acid, 2-amino-, ethyl ester
CID 104454
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate hydrochloride
CID 6602854
Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate
CID 5582977
Ethyl 2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145085
Ethyl [2-(butanoylamino)-1,3-thiazol-4-yl]acetate
CID 2253148
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate
CID 738059
Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate
CID 6401018
(Z)-Ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate
CID 6401017
Ethyl {2-[(2,2-dimethylpropanoyl)amino]-1,3-thiazol-4-yl}acetate
CID 732359
[2-(2,2-Dimethyl-butyrylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 787338

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate (CID 119032026) is methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1csc(N)n1.
What is the InChIKey of methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate?
The InChIKey is VPDPRKSBSOSNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,6(11)12-3)5-4-13-7(9)10-5/h4H,1-3H3,(H2,9,10).
What are the key properties of methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate?
methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate has a molecular weight of 200.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate is sourced from PubChem (CID 119032026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).