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

C6H7N3O3S — CID 45089589

IUPACmethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C6H7N3O3S/c1-12-6(11)4-2(7)3(5(8)10)9-13-4/h7H2,1H3,(H2,8,10)
InChIKeyIBUBKEKAWFVXMI-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.39
Rot. Bonds2

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

methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (PubChem CID 45089589) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
PubChem CID45089589
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Namemethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C6H7N3O3S/c1-12-6(11)4-2(7)3(5(8)10)9-13-4/h7H2,1H3,(H2,8,10)
InChIKeyIBUBKEKAWFVXMI-UHFFFAOYSA-N
XLogP-0.39
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.39
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-carbamoyl-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (CID 45089589) is methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is COC(=O)c1snc(C(N)=O)c1N.
What is the InChIKey of methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The InChIKey is IBUBKEKAWFVXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-12-6(11)4-2(7)3(5(8)10)9-13-4/h7H2,1H3,(H2,8,10).
What are the key properties of methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate has a molecular weight of 201.21 g/mol, XLogP of -0.39, 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-carbamoyl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 45089589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).