5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid

C11H10BrNO2S2 — CID 106510799

IUPAC5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(-c2cc(Br)cs2)s1
InChIInChI=1S/C11H10BrNO2S2/c1-2-3-8-13-9(11(14)15)10(17-8)7-4-6(12)5-16-7/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyLFHLCOZLRXFSEH-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.28
Rot. Bonds4

About 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid

5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510799) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510799
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(-c2cc(Br)cs2)s1
InChIInChI=1S/C11H10BrNO2S2/c1-2-3-8-13-9(11(14)15)10(17-8)7-4-6(12)5-16-7/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyLFHLCOZLRXFSEH-UHFFFAOYSA-N
XLogP4.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510849
5-(3,5-dimethylphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510860
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510698
5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510854
6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid
CID 107355263
5-(2,3-dichlorophenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510825
5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510848
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069110
5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 82489707
2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106510061

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid (CID 106510799) is 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(-c2cc(Br)cs2)s1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is LFHLCOZLRXFSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c1-2-3-8-13-9(11(14)15)10(17-8)7-4-6(12)5-16-7/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid?
5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 332.24 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).