5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole

C17H14ClNOS — CID 28709905

IUPAC5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(CCl)s2)cc1
InChIInChI=1S/C17H14ClNOS/c1-20-14-9-7-13(8-10-14)17-19-16(15(11-18)21-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyXRGRJMHZZKEZMI-UHFFFAOYSA-N
MW315.83 g/mol
LogP5.22
Rot. Bonds4

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

5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole (PubChem CID 28709905) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
PubChem CID28709905
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(CCl)s2)cc1
InChIInChI=1S/C17H14ClNOS/c1-20-14-9-7-13(8-10-14)17-19-16(15(11-18)21-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyXRGRJMHZZKEZMI-UHFFFAOYSA-N
XLogP5.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.83
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709903
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile
CID 12733556
2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
CID 93216544
5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
CID 4269272
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 90362651
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
CID 1472843
bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
CID 16687384
2-[4-(4-chloro-3-phosphanylphenyl)-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 122490676
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole (CID 28709905) is 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole is COc1ccc(-c2nc(-c3ccccc3)c(CCl)s2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole?
The InChIKey is XRGRJMHZZKEZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c1-20-14-9-7-13(8-10-14)17-19-16(15(11-18)21-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole?
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole has a molecular weight of 315.83 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 28709905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).