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

C8H8N2O3S — CID 117215208

IUPAC3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(NC1CC1)c1cc(C(=O)O)sn1
InChIInChI=1S/C8H8N2O3S/c11-7(9-4-1-2-4)5-3-6(8(12)13)14-10-5/h3-4H,1-2H2,(H,9,11)(H,12,13)
InChIKeyXWQDIFJSNCMDPF-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.73
Rot. Bonds3

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

3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215208) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215208
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(NC1CC1)c1cc(C(=O)O)sn1
InChIInChI=1S/C8H8N2O3S/c11-7(9-4-1-2-4)5-3-6(8(12)13)14-10-5/h3-4H,1-2H2,(H,9,11)(H,12,13)
InChIKeyXWQDIFJSNCMDPF-UHFFFAOYSA-N
XLogP0.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3-[(cyclopropylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 56766703
3-Carbamoyl-1,2-thiazole-5-carboxylic acid
CID 117215211
3-(Cyclohexylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 174867642
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
3-(Azepane-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215216
3-(Piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215217
3-(Morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215218

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 117215208) is 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid is O=C(NC1CC1)c1cc(C(=O)O)sn1.
What is the InChIKey of 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is XWQDIFJSNCMDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-7(9-4-1-2-4)5-3-6(8(12)13)14-10-5/h3-4H,1-2H2,(H,9,11)(H,12,13).
What are the key properties of 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 212.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).