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

C11H10BrNO2S2 — CID 114359674

IUPAC2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(Br)s2)sc1C(=O)O
InChIInChI=1S/C11H10BrNO2S2/c1-2-3-6-9(11(14)15)17-10(13-6)7-4-5-8(12)16-7/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyBVUCIIDXVKJDST-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.28
Rot. Bonds4

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

2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359674) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114359674
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(Br)s2)sc1C(=O)O
InChIInChI=1S/C11H10BrNO2S2/c1-2-3-6-9(11(14)15)17-10(13-6)7-4-5-8(12)16-7/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyBVUCIIDXVKJDST-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359583
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519
2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106847725
2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106817947
2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114556534
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114556533
2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359639
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
2-(2-methyl-1-benzofuran-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114360623
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885485

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114359674) is 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2ccc(Br)s2)sc1C(=O)O.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is BVUCIIDXVKJDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c1-2-3-6-9(11(14)15)17-10(13-6)7-4-5-8(12)16-7/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-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 2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).