methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate

C7H9N3O3S — CID 50743440

IUPACmethyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCNC(=O)c1nsc(C(=O)OC)c1N
InChIInChI=1S/C7H9N3O3S/c1-9-6(11)4-3(8)5(14-10-4)7(12)13-2/h8H2,1-2H3,(H,9,11)
InChIKeyNYFWKBKBLYBSIQ-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.13
Rot. Bonds2

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

methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate (PubChem CID 50743440) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate
PubChem CID50743440
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Namemethyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCNC(=O)c1nsc(C(=O)OC)c1N
InChIInChI=1S/C7H9N3O3S/c1-9-6(11)4-3(8)5(14-10-4)7(12)13-2/h8H2,1-2H3,(H,9,11)
InChIKeyNYFWKBKBLYBSIQ-UHFFFAOYSA-N
XLogP-0.13
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate (CID 50743440) is methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate is CNC(=O)c1nsc(C(=O)OC)c1N.
What is the InChIKey of methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate?
The InChIKey is NYFWKBKBLYBSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-9-6(11)4-3(8)5(14-10-4)7(12)13-2/h8H2,1-2H3,(H,9,11).
What are the key properties of methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate?
methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate has a molecular weight of 215.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 50743440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).