(3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone

C18H15NO3S — CID 25258605

IUPAC(3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C18H15NO3S/c1-21-15-9-8-13(10-16(15)22-2)17(20)14-11-23-18(19-14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyGOWYUOGYQVBRKY-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.06
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone

(3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25258605) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID25258605
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name(3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C18H15NO3S/c1-21-15-9-8-13(10-16(15)22-2)17(20)14-11-23-18(19-14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyGOWYUOGYQVBRKY-UHFFFAOYSA-N
XLogP4.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10430727
2-(3,4-Diethoxyphenyl)-4-(3-carboxyphenyl)thiazole
CID 10451740
4-(3,4,5-Trimethoxybenzoyl)-2-phenylthiazole
CID 25227430
Smart-F
CID 25227431
[2-(4-Bromophenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257458
[2-(4-Ethylphenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257690
[2-(2-Thienyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257692
(3,5-Dimethoxyphenyl)(2-phenyl-4-thiazolyl)methanone
CID 25258606
[2-(4-Methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258609
[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258610
[2-(3-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258829
[2-(3,4-Dimethoxyphenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25258830

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 25258605) is (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone is COc1ccc(C(=O)c2csc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is GOWYUOGYQVBRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-21-15-9-8-13(10-16(15)22-2)17(20)14-11-23-18(19-14)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
(3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 325.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25258605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).