5-(chloromethyl)-2,4-diphenyl-1,3-thiazole

C16H12ClNS — CID 28709890

IUPAC5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
SMILESClCc1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H12ClNS/c17-11-14-15(12-7-3-1-4-8-12)18-16(19-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyCPEJTKZIKKKNMD-UHFFFAOYSA-N
MW285.80 g/mol
LogP5.22
Rot. Bonds3

About 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole

5-(chloromethyl)-2,4-diphenyl-1,3-thiazole (PubChem CID 28709890) has the molecular formula C16H12ClNS and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
PubChem CID28709890
Molecular FormulaC16H12ClNS
Molecular Weight285.80 g/mol
Exact Mass285.04
IUPAC Name5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
SMILESClCc1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H12ClNS/c17-11-14-15(12-7-3-1-4-8-12)18-16(19-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyCPEJTKZIKKKNMD-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.80
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709903
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
CID 16687384
5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole
CID 28709914
4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
CID 95560849
5-ethyl-2-phenyl-1,3-thiazol-4-ol
CID 13484654
5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
CID 28709866
5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole
CID 45113674
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
2-(4-phenyl-2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 79786144

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole (CID 28709890) is 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole is ClCc1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole?
The InChIKey is CPEJTKZIKKKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS/c17-11-14-15(12-7-3-1-4-8-12)18-16(19-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole?
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole has a molecular weight of 285.80 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,4-diphenyl-1,3-thiazole is sourced from PubChem (CID 28709890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).