2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole

C10H9ClN2S — CID 97058354

IUPAC2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(-c2cccnc2Cl)n1
InChIInChI=1S/C10H9ClN2S/c1-2-7-6-14-10(13-7)8-4-3-5-12-9(8)11/h3-6H,2H2,1H3
InChIKeyPIJOAWZMVPCAPB-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.42
Rot. Bonds2

About 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole

2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole (PubChem CID 97058354) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole
PubChem CID97058354
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(-c2cccnc2Cl)n1
InChIInChI=1S/C10H9ClN2S/c1-2-7-6-14-10(13-7)8-4-3-5-12-9(8)11/h3-6H,2H2,1H3
InChIKeyPIJOAWZMVPCAPB-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-chloro-3-(4-ethylphenyl)pyridine
CID 82079165
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
3-[4-(aminomethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 83293518
2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347506
2-(3-chloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511905
2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole
CID 135396419
2-chloro-3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pyridine
CID 123609801
N-[[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280692
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
CID 108775470

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole (CID 97058354) is 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole is CCc1csc(-c2cccnc2Cl)n1.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole?
The InChIKey is PIJOAWZMVPCAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-2-7-6-14-10(13-7)8-4-3-5-12-9(8)11/h3-6H,2H2,1H3.
What are the key properties of 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole?
2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole has a molecular weight of 224.72 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole is sourced from PubChem (CID 97058354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).