4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole

C18H14ClNS2 — CID 3681008

IUPAC4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
SMILESCSc1ccc(C=Cc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C18H14ClNS2/c1-21-16-9-2-13(3-10-16)4-11-18-20-17(12-22-18)14-5-7-15(19)8-6-14/h2-12H,1H3
InChIKeyMTARXTBOSMMBIM-UHFFFAOYSA-N
MW343.90 g/mol
LogP6.36
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole (PubChem CID 3681008) has the molecular formula C18H14ClNS2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
PubChem CID3681008
Molecular FormulaC18H14ClNS2
Molecular Weight343.90 g/mol
Exact Mass343.03
IUPAC Name4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
SMILESCSc1ccc(C=Cc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C18H14ClNS2/c1-21-16-9-2-13(3-10-16)4-11-18-20-17(12-22-18)14-5-7-15(19)8-6-14/h2-12H,1H3
InChIKeyMTARXTBOSMMBIM-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 7968999
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 162721182
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 135409428
1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
4-(4-nitrophenyl)-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1,3-thiazole
CID 6265947
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 8865155
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole (CID 3681008) is 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole is CSc1ccc(C=Cc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole?
The InChIKey is MTARXTBOSMMBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNS2/c1-21-16-9-2-13(3-10-16)4-11-18-20-17(12-22-18)14-5-7-15(19)8-6-14/h2-12H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole has a molecular weight of 343.90 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 3681008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).