4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid

C10H15NO2S — CID 19885478

IUPAC4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCc1nc(CC)sc1C(=O)O
InChIInChI=1S/C10H15NO2S/c1-3-5-6-7-9(10(12)13)14-8(4-2)11-7/h3-6H2,1-2H3,(H,12,13)
InChIKeyKMMANICCFMMBNM-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.75
Rot. Bonds5

About 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid

4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 19885478) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID19885478
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCc1nc(CC)sc1C(=O)O
InChIInChI=1S/C10H15NO2S/c1-3-5-6-7-9(10(12)13)14-8(4-2)11-7/h3-6H2,1-2H3,(H,12,13)
InChIKeyKMMANICCFMMBNM-UHFFFAOYSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 70368097
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
2-Methyl-4-propyl-5-thiazolecarboxylic acid
CID 14653141
4-Tert-butyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 19885551
4-Thiazolecarboxylic acid, 2-methyl-5-propyl-
CID 83290667
Ethyl 2-methyl-4-propyl-1,3-thiazole-5-carboxylate
CID 56737794
4-Cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 75449177
4-Butyl-2-fluoro-1,3-thiazole-5-carboxylic acid
CID 19885482
4-Ethyl-2-fluoro-1,3-thiazole-5-carboxylic acid
CID 19885517
4-Ethyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885527
2-Methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 19885541
2-Fluoro-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885576

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid (CID 19885478) is 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid is CCCCc1nc(CC)sc1C(=O)O.
What is the InChIKey of 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KMMANICCFMMBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-5-6-7-9(10(12)13)14-8(4-2)11-7/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid?
4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 213.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).