2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole

C18H13Cl2NOS — CID 3429655

IUPAC2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C=Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C18H13Cl2NOS/c1-22-14-6-4-13(5-7-14)17-11-23-18(21-17)9-3-12-2-8-15(19)16(20)10-12/h2-11H,1H3
InChIKeyJYDQEQFQIKQPSB-UHFFFAOYSA-N
MW362.28 g/mol
LogP6.30
Rot. Bonds4

About 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole

2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 3429655) has the molecular formula C18H13Cl2NOS and a molecular weight of 362.28 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID3429655
Molecular FormulaC18H13Cl2NOS
Molecular Weight362.28 g/mol
Exact Mass361.01
IUPAC Name2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C=Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C18H13Cl2NOS/c1-22-14-6-4-13(5-7-14)17-11-23-18(21-17)9-3-12-2-8-15(19)16(20)10-12/h2-11H,1H3
InChIKeyJYDQEQFQIKQPSB-UHFFFAOYSA-N
XLogP6.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.28
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
CID 143246980
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 8865155
4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde
CID 116867332
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 3681008
2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 4690778
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 7968999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 3429655) is 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(C=Cc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is JYDQEQFQIKQPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NOS/c1-22-14-6-4-13(5-7-14)17-11-23-18(21-17)9-3-12-2-8-15(19)16(20)10-12/h2-11H,1H3.
What are the key properties of 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 362.28 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 3429655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).