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

C17H14ClNOS — CID 28709903

IUPAC5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
SMILESCOc1ccccc1-c1nc(-c2ccccc2)c(CCl)s1
InChIInChI=1S/C17H14ClNOS/c1-20-14-10-6-5-9-13(14)17-19-16(15(11-18)21-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyREWAWUZNNPLBFA-UHFFFAOYSA-N
MW315.83 g/mol
LogP5.22
Rot. Bonds4

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

5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole (PubChem CID 28709903) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
PubChem CID28709903
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
SMILESCOc1ccccc1-c1nc(-c2ccccc2)c(CCl)s1
InChIInChI=1S/C17H14ClNOS/c1-20-14-10-6-5-9-13(14)17-19-16(15(11-18)21-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyREWAWUZNNPLBFA-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

2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 89261170
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434874
2-[4-tert-butyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82439155
2-[4-(methoxymethyl)-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441136
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole (CID 28709903) is 5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole is COc1ccccc1-c1nc(-c2ccccc2)c(CCl)s1.
What is the InChIKey of 5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole?
The InChIKey is REWAWUZNNPLBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c1-20-14-10-6-5-9-13(14)17-19-16(15(11-18)21-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole?
5-(chloromethyl)-2-(2-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-(2-methoxyphenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 28709903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).