4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole

C22H16ClNOS — CID 7550705

IUPAC4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
SMILESClc1cc(-c2ccccc2)ccc1OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H16ClNOS/c23-20-13-18(16-7-3-1-4-8-16)11-12-21(20)25-14-19-15-26-22(24-19)17-9-5-2-6-10-17/h1-13,15H,14H2
InChIKeyZHHVAVWSPWJYLB-UHFFFAOYSA-N
MW377.90 g/mol
LogP6.71
Rot. Bonds5

About 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole

4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole (PubChem CID 7550705) has the molecular formula C22H16ClNOS and a molecular weight of 377.90 g/mol. Its IUPAC name is 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
PubChem CID7550705
Molecular FormulaC22H16ClNOS
Molecular Weight377.90 g/mol
Exact Mass377.06
IUPAC Name4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
SMILESClc1cc(-c2ccccc2)ccc1OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H16ClNOS/c23-20-13-18(16-7-3-1-4-8-16)11-12-21(20)25-14-19-15-26-22(24-19)17-9-5-2-6-10-17/h1-13,15H,14H2
InChIKeyZHHVAVWSPWJYLB-UHFFFAOYSA-N
XLogP6.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.90
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
CID 8946764
4-[[5-[(2,4-dichlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 19633233
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
4-[[5-[(2-chloro-4-fluorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 19633892
4-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-2-phenyl-1,3-thiazole
CID 5006694
[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983705
2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene
CID 63499479
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
CID 112788067

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole (CID 7550705) is 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole is Clc1cc(-c2ccccc2)ccc1OCc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole?
The InChIKey is ZHHVAVWSPWJYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNOS/c23-20-13-18(16-7-3-1-4-8-16)11-12-21(20)25-14-19-15-26-22(24-19)17-9-5-2-6-10-17/h1-13,15H,14H2.
What are the key properties of 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole?
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole has a molecular weight of 377.90 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 7550705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).