methyl 2-amino-1,3-thiazole-4-carboxylate

C5H6N2O2S — CID 840099

IUPACmethyl 2-amino-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N)n1
InChIInChI=1S/C5H6N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7)
InChIKeyWYVZZWKIKAKUKV-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.51
Rot. Bonds1

About methyl 2-amino-1,3-thiazole-4-carboxylate

methyl 2-amino-1,3-thiazole-4-carboxylate (PubChem CID 840099) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is methyl 2-amino-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1,3-thiazole-4-carboxylate
PubChem CID840099
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Namemethyl 2-amino-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N)n1
InChIInChI=1S/C5H6N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7)
InChIKeyWYVZZWKIKAKUKV-UHFFFAOYSA-N
XLogP0.51
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-aminothiazole-4-carboxylate
CID 73216
Ethyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 702548
Ethyl 2-amino-1,3-thiazole-4-carboxylate hydrochloride
CID 16192542
2-Aminothiazole-4-carboxylic acid
CID 1501882
Methyl 2-bromothiazole-4-carboxylate
CID 2763213
Ethyl 2-butanamido-1,3-thiazole-4-carboxylate
CID 2326262
Ethyl 2-(2-formylhydrazino)-1,3-thiazole-4-carboxylate
CID 2718854
Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate
CID 1284665
2-Amino-4-thiazolecarboxylic acid hydrobromide
CID 16217717
Ethyl 2-(2,2-dimethylpropanoylamino)-1,3-thiazole-4-carboxylate
CID 4067264
2-Isopropylidenehydrazino-4-carbethoxythiazole
CID 2783580
Ethyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-4-carboxylate
CID 7171906

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-1,3-thiazole-4-carboxylate (CID 840099) is methyl 2-amino-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N)n1.
What is the InChIKey of methyl 2-amino-1,3-thiazole-4-carboxylate?
The InChIKey is WYVZZWKIKAKUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7).
What are the key properties of methyl 2-amino-1,3-thiazole-4-carboxylate?
methyl 2-amino-1,3-thiazole-4-carboxylate has a molecular weight of 158.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 840099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).