4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid

C6H7N3O3S — CID 50743412

IUPAC4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCNC(=O)c1nsc(C(=O)O)c1N
InChIInChI=1S/C6H7N3O3S/c1-8-5(10)3-2(7)4(6(11)12)13-9-3/h7H2,1H3,(H,8,10)(H,11,12)
InChIKeyINXAYWDDSYOFIZ-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.22
Rot. Bonds2

About 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 50743412) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID50743412
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCNC(=O)c1nsc(C(=O)O)c1N
InChIInChI=1S/C6H7N3O3S/c1-8-5(10)3-2(7)4(6(11)12)13-9-3/h7H2,1H3,(H,8,10)(H,11,12)
InChIKeyINXAYWDDSYOFIZ-UHFFFAOYSA-N
XLogP-0.22
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-oxo-6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 135531842
Methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 50743440
4-Amino-3-[(cyclopropylmethyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
CID 50743432
4-Amino-3-carbamoyl-1,2-thiazole-5-carboxylic acid
CID 12553625
4-Amino-3-[(cyclopropylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 56766703
Ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 135371235
6,7-Dihydro-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 135573891
4-Amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 860195
4-Amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 7116668
Methyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
CID 45089589
4-Amino-3-[(ethylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 50743413
4-Amino-3-(propylcarbamoyl)isothiazole-5-carboxylic acid
CID 50743414

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 50743412) is 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid is CNC(=O)c1nsc(C(=O)O)c1N.
What is the InChIKey of 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is INXAYWDDSYOFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-8-5(10)3-2(7)4(6(11)12)13-9-3/h7H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 201.21 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 50743412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).