4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

C13H14N2O2S — CID 82227048

IUPAC4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Cc1nc(-c2ccccn2)sc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-8(2)7-10-11(13(16)17)18-12(15-10)9-5-3-4-6-14-9/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyJOQGCTNBYWKSBH-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.10
Rot. Bonds4

About 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82227048) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82227048
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Cc1nc(-c2ccccn2)sc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-8(2)7-10-11(13(16)17)18-12(15-10)9-5-3-4-6-14-9/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyJOQGCTNBYWKSBH-UHFFFAOYSA-N
XLogP3.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-2-pyrimidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 114360335
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065
4-(2-methylpropyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360339
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
2-[4-(aminomethyl)phenyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358886
2-(4-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360511
2-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360289
1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 136993019
4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920330
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360286

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (CID 82227048) is 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)Cc1nc(-c2ccccn2)sc1C(=O)O.
What is the InChIKey of 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JOQGCTNBYWKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8(2)7-10-11(13(16)17)18-12(15-10)9-5-3-4-6-14-9/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).