4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole

C18H17NO2S2 — CID 13209670

IUPAC4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(SC)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO2S2/c1-20-14-8-4-12(5-9-14)16-17(23-18(19-16)22-3)13-6-10-15(21-2)11-7-13/h4-11H,1-3H3
InChIKeyIIMNWGNVRRCJCA-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.22
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole

4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole (PubChem CID 13209670) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
PubChem CID13209670
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(SC)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO2S2/c1-20-14-8-4-12(5-9-14)16-17(23-18(19-16)22-3)13-6-10-15(21-2)11-7-13/h4-11H,1-3H3
InChIKeyIIMNWGNVRRCJCA-UHFFFAOYSA-N
XLogP5.22
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-bis(4-chlorophenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209660
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
5,6-bis(4-methoxyphenyl)tetrathiine
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4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
CID 15603902
4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15603563
4,5-bis(4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 15076241
4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 4788158
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
CID 19757960

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole (CID 13209670) is 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole is COc1ccc(-c2nc(SC)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole?
The InChIKey is IIMNWGNVRRCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-20-14-8-4-12(5-9-14)16-17(23-18(19-16)22-3)13-6-10-15(21-2)11-7-13/h4-11H,1-3H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole?
4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole has a molecular weight of 343.47 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 13209670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).