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

C7H8N2O3S — CID 117215245

IUPAC3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCCNC(=O)c1cc(C(=O)O)sn1
InChIInChI=1S/C7H8N2O3S/c1-2-8-6(10)4-3-5(7(11)12)13-9-4/h3H,2H2,1H3,(H,8,10)(H,11,12)
InChIKeyHBPKEWRIEGJYFP-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.59
Rot. Bonds3

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

3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215245) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215245
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESCCNC(=O)c1cc(C(=O)O)sn1
InChIInChI=1S/C7H8N2O3S/c1-2-8-6(10)4-3-5(7(11)12)13-9-4/h3H,2H2,1H3,(H,8,10)(H,11,12)
InChIKeyHBPKEWRIEGJYFP-UHFFFAOYSA-N
XLogP0.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 117215245) is 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid is CCNC(=O)c1cc(C(=O)O)sn1.
What is the InChIKey of 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is HBPKEWRIEGJYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-2-8-6(10)4-3-5(7(11)12)13-9-4/h3H,2H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 200.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).