2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid

C12H11BrN2O2S — CID 114359583

IUPAC2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(Br)cn2)sc1C(=O)O
InChIInChI=1S/C12H11BrN2O2S/c1-2-3-8-10(12(16)17)18-11(15-8)9-5-4-7(13)6-14-9/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyMIOFKKXHQUHUOO-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.62
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid

2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359583) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114359583
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(Br)cn2)sc1C(=O)O
InChIInChI=1S/C12H11BrN2O2S/c1-2-3-8-10(12(16)17)18-11(15-8)9-5-4-7(13)6-14-9/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyMIOFKKXHQUHUOO-UHFFFAOYSA-N
XLogP3.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359674
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
N-[[2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364132
2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359639
2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106847725
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
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
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114359583) is 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2ccc(Br)cn2)sc1C(=O)O.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MIOFKKXHQUHUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-2-3-8-10(12(16)17)18-11(15-8)9-5-4-7(13)6-14-9/h4-6H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 327.20 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).