2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole

C16H14ClNOS — CID 132593144

IUPAC2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESClc1ccccc1COc1cccc(C2=NCCS2)c1
InChIInChI=1S/C16H14ClNOS/c17-15-7-2-1-4-13(15)11-19-14-6-3-5-12(10-14)16-18-8-9-20-16/h1-7,10H,8-9,11H2
InChIKeyJQKABCQNYCGTGE-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.41
Rot. Bonds4

About 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole

2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 132593144) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID132593144
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESClc1ccccc1COc1cccc(C2=NCCS2)c1
InChIInChI=1S/C16H14ClNOS/c17-15-7-2-1-4-13(15)11-19-14-6-3-5-12(10-14)16-18-8-9-20-16/h1-7,10H,8-9,11H2
InChIKeyJQKABCQNYCGTGE-UHFFFAOYSA-N
XLogP4.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593001
2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole
CID 132593114
2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593171
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968
6-[2-[3-[(2-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 11246752
2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593167
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 46165575

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (CID 132593144) is 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is Clc1ccccc1COc1cccc(C2=NCCS2)c1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is JQKABCQNYCGTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-15-7-2-1-4-13(15)11-19-14-6-3-5-12(10-14)16-18-8-9-20-16/h1-7,10H,8-9,11H2.
What are the key properties of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 303.81 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132593144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).