3-carbamoyl-1,2-thiazole-5-carboxylic acid

C5H4N2O3S — CID 117215211

IUPAC3-carbamoyl-1,2-thiazole-5-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)sn1
InChIInChI=1S/C5H4N2O3S/c6-4(8)2-1-3(5(9)10)11-7-2/h1H,(H2,6,8)(H,9,10)
InChIKeyRKYYUZCHWNBVNH-UHFFFAOYSA-N
MW172.17 g/mol
LogP-0.06
Rot. Bonds2

About 3-carbamoyl-1,2-thiazole-5-carboxylic acid

3-carbamoyl-1,2-thiazole-5-carboxylic acid (PubChem CID 117215211) has the molecular formula C5H4N2O3S and a molecular weight of 172.17 g/mol. Its IUPAC name is 3-carbamoyl-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-1,2-thiazole-5-carboxylic acid
PubChem CID117215211
Molecular FormulaC5H4N2O3S
Molecular Weight172.17 g/mol
Exact Mass171.99
IUPAC Name3-carbamoyl-1,2-thiazole-5-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)sn1
InChIInChI=1S/C5H4N2O3S/c6-4(8)2-1-3(5(9)10)11-7-2/h1H,(H2,6,8)(H,9,10)
InChIKeyRKYYUZCHWNBVNH-UHFFFAOYSA-N
XLogP-0.06
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1,2-thiazole-5-carboxylic acid
CID 274092
1,2-Thiazole-3,5-dicarboxylic acid
CID 20557909
3-Methyl-1,2-thiazole-5-carboxylic acid;hydrochloride
CID 67869524
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-(Methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215212
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-carbamoyl-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-carbamoyl-1,2-thiazole-5-carboxylic acid (CID 117215211) is 3-carbamoyl-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-carbamoyl-1,2-thiazole-5-carboxylic acid is NC(=O)c1cc(C(=O)O)sn1.
What is the InChIKey of 3-carbamoyl-1,2-thiazole-5-carboxylic acid?
The InChIKey is RKYYUZCHWNBVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3S/c6-4(8)2-1-3(5(9)10)11-7-2/h1H,(H2,6,8)(H,9,10).
What are the key properties of 3-carbamoyl-1,2-thiazole-5-carboxylic acid?
3-carbamoyl-1,2-thiazole-5-carboxylic acid has a molecular weight of 172.17 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).