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

C20H21NO2S — CID 13015383

IUPAC4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C(C)C)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21NO2S/c1-13(2)20-21-18(14-5-9-16(22-3)10-6-14)19(24-20)15-7-11-17(23-4)12-8-15/h5-13H,1-4H3
InChIKeyFQDXHBDSPIMJQI-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.62
Rot. Bonds5

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

4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 13015383) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
PubChem CID13015383
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C(C)C)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21NO2S/c1-13(2)20-21-18(14-5-9-16(22-3)10-6-14)19(24-20)15-7-11-17(23-4)12-8-15/h5-13H,1-4H3
InChIKeyFQDXHBDSPIMJQI-UHFFFAOYSA-N
XLogP5.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209670
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole
CID 67536812
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
CID 19757960
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide
CID 54224136
1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 61336837
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
1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea
CID 67854777
5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510956

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole (CID 13015383) is 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole is COc1ccc(-c2nc(C(C)C)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is FQDXHBDSPIMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-13(2)20-21-18(14-5-9-16(22-3)10-6-14)19(24-20)15-7-11-17(23-4)12-8-15/h5-13H,1-4H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 339.46 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 13015383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).