2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid

C7H8N2O4S — CID 20788301

IUPAC2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid
SMILESCOC(=O)c1nc(N)sc1CC(=O)O
InChIInChI=1S/C7H8N2O4S/c1-13-6(12)5-3(2-4(10)11)14-7(8)9-5/h2H2,1H3,(H2,8,9)(H,10,11)
InChIKeyWVMUDVLGCLPCMW-UHFFFAOYSA-N
MW216.22 g/mol
LogP0.14
Rot. Bonds3

About 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid

2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 20788301) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid
PubChem CID20788301
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid
SMILESCOC(=O)c1nc(N)sc1CC(=O)O
InChIInChI=1S/C7H8N2O4S/c1-13-6(12)5-3(2-4(10)11)14-7(8)9-5/h2H2,1H3,(H2,8,9)(H,10,11)
InChIKeyWVMUDVLGCLPCMW-UHFFFAOYSA-N
XLogP0.14
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide
CID 20788300
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid
CID 83824482
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
methyl 2-amino-5-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylate
CID 131722526
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136
methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271123
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
ethyl 2-amino-5-(3-chloropropyl)-1,3-thiazole-4-carboxylate
CID 59418686
methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 126482957
methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271259

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid (CID 20788301) is 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid is COC(=O)c1nc(N)sc1CC(=O)O.
What is the InChIKey of 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is WVMUDVLGCLPCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S/c1-13-6(12)5-3(2-4(10)11)14-7(8)9-5/h2H2,1H3,(H2,8,9)(H,10,11).
What are the key properties of 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid?
2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 216.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 20788301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).