2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole

C11H11ClN2S — CID 170188044

IUPAC2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole
SMILESCc1sc(Cl)nc1CCc1cccnc1
InChIInChI=1S/C11H11ClN2S/c1-8-10(14-11(12)15-8)5-4-9-3-2-6-13-7-9/h2-3,6-7H,4-5H2,1H3
InChIKeyFRKWXOSNOMKTCV-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole

2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole (PubChem CID 170188044) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole
PubChem CID170188044
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole
SMILESCc1sc(Cl)nc1CCc1cccnc1
InChIInChI=1S/C11H11ClN2S/c1-8-10(14-11(12)15-8)5-4-9-3-2-6-13-7-9/h2-3,6-7H,4-5H2,1H3
InChIKeyFRKWXOSNOMKTCV-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-methylfuran-3-yl)ethyl]pyridine
CID 170375827
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
CID 104737123
2-chloro-6-methyl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320757
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
3-ethylpyridine
CID 10823
1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine
CID 105135401
argon;2-pyridin-3-ylethanol
CID 159015973
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
dimethyl-pyridin-3-yl-(pyridin-3-ylmethyl)silane
CID 117059217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole (CID 170188044) is 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole is Cc1sc(Cl)nc1CCc1cccnc1.
What is the InChIKey of 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole?
The InChIKey is FRKWXOSNOMKTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-8-10(14-11(12)15-8)5-4-9-3-2-6-13-7-9/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole?
2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole has a molecular weight of 238.74 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole is sourced from PubChem (CID 170188044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).