4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid

C10H8ClNO2S2 — CID 82306715

IUPAC4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(Cl)s2)c(C(=O)O)s1
InChIInChI=1S/C10H8ClNO2S2/c1-2-7-12-8(9(16-7)10(13)14)5-3-4-6(11)15-5/h3-4H,2H2,1H3,(H,13,14)
InChIKeyHHGHUFSPRIPIGB-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.79
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid

4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82306715) has the molecular formula C10H8ClNO2S2 and a molecular weight of 273.77 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID82306715
Molecular FormulaC10H8ClNO2S2
Molecular Weight273.77 g/mol
Exact Mass272.97
IUPAC Name4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(Cl)s2)c(C(=O)O)s1
InChIInChI=1S/C10H8ClNO2S2/c1-2-7-12-8(9(16-7)10(13)14)5-3-4-6(11)15-5/h3-4H,2H2,1H3,(H,13,14)
InChIKeyHHGHUFSPRIPIGB-UHFFFAOYSA-N
XLogP3.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95478146
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82226860
4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 82130600
4-(3-aminophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82226903
4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 83529575
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
2-[(dimethylamino)methyl]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227401
4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82135226
4-(2-chlorophenyl)-2-pentyl-1,3-thiazole-5-carboxylic acid
CID 22437363
[5-(5-chlorothiophen-2-yl)-4-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl] hydrogen carbonate
CID 67237512
4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 87854725

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid (CID 82306715) is 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(-c2ccc(Cl)s2)c(C(=O)O)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HHGHUFSPRIPIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S2/c1-2-7-12-8(9(16-7)10(13)14)5-3-4-6(11)15-5/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid?
4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 273.77 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82306715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).