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

C5H8N2O2S — CID 66584130

IUPACmethyl 2-amino-3H-1,3-thiazole-2-carboxylate
SMILESCOC(=O)C1(N)NC=CS1
InChIInChI=1S/C5H8N2O2S/c1-9-4(8)5(6)7-2-3-10-5/h2-3,7H,6H2,1H3
InChIKeyTUZRNKBWCNVNJW-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.42
Rot. Bonds1

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

methyl 2-amino-3H-1,3-thiazole-2-carboxylate (PubChem CID 66584130) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is methyl 2-amino-3H-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3H-1,3-thiazole-2-carboxylate
PubChem CID66584130
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Namemethyl 2-amino-3H-1,3-thiazole-2-carboxylate
SMILESCOC(=O)C1(N)NC=CS1
InChIInChI=1S/C5H8N2O2S/c1-9-4(8)5(6)7-2-3-10-5/h2-3,7H,6H2,1H3
InChIKeyTUZRNKBWCNVNJW-UHFFFAOYSA-N
XLogP-0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3H-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 2-amino-3H-1,3-thiazole-2-carboxylate (CID 66584130) is methyl 2-amino-3H-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 2-amino-3H-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 2-amino-3H-1,3-thiazole-2-carboxylate is COC(=O)C1(N)NC=CS1.
What is the InChIKey of methyl 2-amino-3H-1,3-thiazole-2-carboxylate?
The InChIKey is TUZRNKBWCNVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-9-4(8)5(6)7-2-3-10-5/h2-3,7H,6H2,1H3.
What are the key properties of methyl 2-amino-3H-1,3-thiazole-2-carboxylate?
methyl 2-amino-3H-1,3-thiazole-2-carboxylate has a molecular weight of 160.20 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3H-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 66584130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).