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

C7H8N2O3S — CID 117214964

IUPAC4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid
SMILESCCNC(=O)c1ncsc1C(=O)O
InChIInChI=1S/C7H8N2O3S/c1-2-8-6(10)4-5(7(11)12)13-3-9-4/h3H,2H2,1H3,(H,8,10)(H,11,12)
InChIKeyACWVGQVPFCUIGJ-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.59
Rot. Bonds3

About 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid

4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 117214964) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid
PubChem CID117214964
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid
SMILESCCNC(=O)c1ncsc1C(=O)O
InChIInChI=1S/C7H8N2O3S/c1-2-8-6(10)4-5(7(11)12)13-3-9-4/h3H,2H2,1H3,(H,8,10)(H,11,12)
InChIKeyACWVGQVPFCUIGJ-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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Related Compounds

4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 117214967
4-methoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 117214962
4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid
CID 117214400
5-(propylamino)-1,3-thiazole-4-carboxylic acid
CID 64631089
4-pentyl-1,3-thiazole-5-carboxylic acid
CID 19885521
2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 110835384
4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide
CID 130696117
4-(bromomethyl)-1,3-thiazole-5-carboxylic acid
CID 19885539
4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 13015604
5-(2-methoxyethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631291
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181

Frequently Asked Questions

What is the IUPAC name of 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid (CID 117214964) is 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid is CCNC(=O)c1ncsc1C(=O)O.
What is the InChIKey of 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ACWVGQVPFCUIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-2-8-6(10)4-5(7(11)12)13-3-9-4/h3H,2H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid?
4-(ethylcarbamoyl)-1,3-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 4-(ethylcarbamoyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117214964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).