2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole

C15H10Cl2N2S — CID 2798615

IUPAC2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)cc1
InChIInChI=1S/C15H10Cl2N2S/c1-9-2-4-10(5-3-9)12-8-20-15(18-12)11-6-13(16)19-14(17)7-11/h2-8H,1H3
InChIKeyZXOLFCPDAPGKCU-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.49
Rot. Bonds2

About 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole

2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 2798615) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
PubChem CID2798615
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)cc1
InChIInChI=1S/C15H10Cl2N2S/c1-9-2-4-10(5-3-9)12-8-20-15(18-12)11-6-13(16)19-14(17)7-11/h2-8H,1H3
InChIKeyZXOLFCPDAPGKCU-UHFFFAOYSA-N
XLogP5.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.49
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-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
2-(2,6-dichloro-4-pyridinyl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
CID 2798644
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-chloro-6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 108775751
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2,4-dichloro-6-(4-methylphenyl)pyridine
CID 90948532
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
4-[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 107915325

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole (CID 2798615) is 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)cc1.
What is the InChIKey of 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is ZXOLFCPDAPGKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c1-9-2-4-10(5-3-9)12-8-20-15(18-12)11-6-13(16)19-14(17)7-11/h2-8H,1H3.
What are the key properties of 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole?
2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 321.23 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 2798615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).