5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole

C17H15ClN2S — CID 11674063

IUPAC5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(Cl)c2)s1
InChIInChI=1S/C17H15ClN2S/c1-3-15-20-16(12-6-4-5-11(2)9-12)17(21-15)13-7-8-19-14(18)10-13/h4-10H,3H2,1-2H3
InChIKeyRNRMSXZOVRUKJB-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.40
Rot. Bonds3

About 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole

5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole (PubChem CID 11674063) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
PubChem CID11674063
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(Cl)c2)s1
InChIInChI=1S/C17H15ClN2S/c1-3-15-20-16(12-6-4-5-11(2)9-12)17(21-15)13-7-8-19-14(18)10-13/h4-10H,3H2,1-2H3
InChIKeyRNRMSXZOVRUKJB-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.40
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole (CID 11674063) is 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(Cl)c2)s1.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole?
The InChIKey is RNRMSXZOVRUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-3-15-20-16(12-6-4-5-11(2)9-12)17(21-15)13-7-8-19-14(18)10-13/h4-10H,3H2,1-2H3.
What are the key properties of 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole?
5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole has a molecular weight of 314.84 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 11674063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).