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

C19H18N2O3S — CID 1472598

IUPACN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-15-7-3-13(4-8-15)11-18-21-17(12-25-18)19(22)20-14-5-9-16(24-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyVZQZIUGZXUSKLW-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.00
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 1472598) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID1472598
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-15-7-3-13(4-8-15)11-18-21-17(12-25-18)19(22)20-14-5-9-16(24-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyVZQZIUGZXUSKLW-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 1472598) is N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(Cc2nc(C(=O)Nc3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VZQZIUGZXUSKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-15-7-3-13(4-8-15)11-18-21-17(12-25-18)19(22)20-14-5-9-16(24-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1472598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).