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

C6H6N2O3S — CID 117215212

IUPAC3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)sn1
InChIInChI=1S/C6H6N2O3S/c1-7-5(9)3-2-4(6(10)11)12-8-3/h2H,1H3,(H,7,9)(H,10,11)
InChIKeyNSKWCFGRTTUFED-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.20
Rot. Bonds2

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

3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215212) has the molecular formula C6H6N2O3S and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215212
Molecular FormulaC6H6N2O3S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)sn1
InChIInChI=1S/C6H6N2O3S/c1-7-5(9)3-2-4(6(10)11)12-8-3/h2H,1H3,(H,7,9)(H,10,11)
InChIKeyNSKWCFGRTTUFED-UHFFFAOYSA-N
XLogP0.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 50743412
3-Carbamoyl-1,2-thiazole-5-carboxylic acid
CID 117215211
5-(methoxymethyl)-N-methyl-1,2-thiazole-3-carboxamide
CID 123214837
3-(Cyclohexylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 174867642
5-Carbamoyl-1,2-thiazole-3-carboxylic acid
CID 13167781
3-(Aminomethyl)-1,2-thiazole-5-carboxylic acid
CID 83480080
3-(Cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215208
3-(Cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215209
3-(Cyclopentylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215210
3-(Dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215213
3-(Pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215214
3-(Piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215215

Frequently Asked Questions

What is the IUPAC name of 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 117215212) is 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid is CNC(=O)c1cc(C(=O)O)sn1.
What is the InChIKey of 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is NSKWCFGRTTUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S/c1-7-5(9)3-2-4(6(10)11)12-8-3/h2H,1H3,(H,7,9)(H,10,11).
What are the key properties of 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 186.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).