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

C5H5N2O2S- — CID 2465960

IUPAC5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)[O-]
InChIInChI=1S/C5H6N2O2S/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)/p-1
InChIKeyAQBUEVXOULPURO-UHFFFAOYSA-M
MW157.17 g/mol
LogP-0.60
Rot. Bonds1

About 5-amino-3-methyl-1,2-thiazole-4-carboxylate

5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 2465960) has the molecular formula C5H5N2O2S- and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID2465960
Molecular FormulaC5H5N2O2S-
Molecular Weight157.17 g/mol
Exact Mass157.01
IUPAC Name5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)[O-]
InChIInChI=1S/C5H6N2O2S/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)/p-1
InChIKeyAQBUEVXOULPURO-UHFFFAOYSA-M
XLogP-0.60
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 2465960) is 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for 5-amino-3-methyl-1,2-thiazole-4-carboxylate is Cc1nsc(N)c1C(=O)[O-].
What is the InChIKey of 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is AQBUEVXOULPURO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O2S/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)/p-1.
What are the key properties of 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 2465960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).