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

C18H17NO2S — CID 13015377

IUPAC4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO2S/c1-12-19-17(13-4-8-15(20-2)9-5-13)18(22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
InChIKeyXBPHWPQFUOTPOG-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.80
Rot. Bonds4

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

4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole (PubChem CID 13015377) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole
PubChem CID13015377
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO2S/c1-12-19-17(13-4-8-15(20-2)9-5-13)18(22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
InChIKeyXBPHWPQFUOTPOG-UHFFFAOYSA-N
XLogP4.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Itazigrel
CID 51087
2-(4-Methoxyphenyl)benzothiazole
CID 95753
FR-122047
CID 196841
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CID 613228
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
2-(4-Methoxyphenyl)-5-phenylthiazol-4-ol
CID 14425906
4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
1-((4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
CID 196840
5-Methyl-4-(4-phenoxy-phenyl)-thiazol-2-ylamine
CID 828522
4-(2,4-Dimethoxyphenyl)-2-phenyl-1,3-thiazole
CID 2441960
4-(4-Methoxy-phenyl)-2-(2-methyl-tetrahydro-pyran-4-yl)-thiazole
CID 16682543
2-[4-(4-Methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 772515

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole (CID 13015377) is 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole is COc1ccc(-c2nc(C)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole?
The InChIKey is XBPHWPQFUOTPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-12-19-17(13-4-8-15(20-2)9-5-13)18(22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole?
4,5-bis(4-methoxyphenyl)-2-methyl-1,3-thiazole has a molecular weight of 311.41 g/mol, XLogP of 4.80, 4 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-methyl-1,3-thiazole is sourced from PubChem (CID 13015377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).