N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C19H18N2O3S — CID 9124056

IUPACN-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c(OC)c1
InChIInChI=1S/C19H18N2O3S/c1-12-17(25-19(20-12)13-7-5-4-6-8-13)18(22)21-15-10-9-14(23-2)11-16(15)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeySQFDAETWAWUQKS-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.39
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 9124056) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID9124056
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c(OC)c1
InChIInChI=1S/C19H18N2O3S/c1-12-17(25-19(20-12)13-7-5-4-6-8-13)18(22)21-15-10-9-14(23-2)11-16(15)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeySQFDAETWAWUQKS-UHFFFAOYSA-N
XLogP4.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 9124056) is N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SQFDAETWAWUQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-17(25-19(20-12)13-7-5-4-6-8-13)18(22)21-15-10-9-14(23-2)11-16(15)24-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9124056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).