N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide

C19H18N2O3S — CID 9403887

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-16-9-8-13(10-17(16)24-2)11-20-18(22)15-12-25-19(21-15)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyUGGHHHRMHMKBAF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.76
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 9403887) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID9403887
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-16-9-8-13(10-17(16)24-2)11-20-18(22)15-12-25-19(21-15)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyUGGHHHRMHMKBAF-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 9403887) is N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide is COc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is UGGHHHRMHMKBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-16-9-8-13(10-17(16)24-2)11-20-18(22)15-12-25-19(21-15)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9403887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).