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

C17H16ClNOS — CID 132593167

IUPAC2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(COc2ccc(C3=NCCS3)cc2Cl)cc1
InChIInChI=1S/C17H16ClNOS/c1-12-2-4-13(5-3-12)11-20-16-7-6-14(10-15(16)18)17-19-8-9-21-17/h2-7,10H,8-9,11H2,1H3
InChIKeyUFFYHESPFNJUOR-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.72
Rot. Bonds4

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

2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 132593167) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID132593167
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(COc2ccc(C3=NCCS3)cc2Cl)cc1
InChIInChI=1S/C17H16ClNOS/c1-12-2-4-13(5-3-12)11-20-16-7-6-14(10-15(16)18)17-19-8-9-21-17/h2-7,10H,8-9,11H2,1H3
InChIKeyUFFYHESPFNJUOR-UHFFFAOYSA-N
XLogP4.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593171
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole
CID 132593092
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole
CID 132593082
3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole
CID 58913514
2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132592985
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
5-[(2-chloro-4-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 55104810
3-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187843

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (CID 132593167) is 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is Cc1ccc(COc2ccc(C3=NCCS3)cc2Cl)cc1.
What is the InChIKey of 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is UFFYHESPFNJUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-12-2-4-13(5-3-12)11-20-16-7-6-14(10-15(16)18)17-19-8-9-21-17/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 317.84 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132593167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).