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

C20H20N2O3S — CID 1472618

IUPACN,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H20N2O3S/c1-24-16-7-3-14(4-8-16)11-19-22-18(13-26-19)20(23)21-12-15-5-9-17(25-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyZYKZQSHCSKHOGN-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.68
Rot. Bonds7

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

N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 1472618) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID1472618
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H20N2O3S/c1-24-16-7-3-14(4-8-16)11-19-22-18(13-26-19)20(23)21-12-15-5-9-17(25-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyZYKZQSHCSKHOGN-UHFFFAOYSA-N
XLogP3.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 1472618) is N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(CNC(=O)c2csc(Cc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZYKZQSHCSKHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-24-16-7-3-14(4-8-16)11-19-22-18(13-26-19)20(23)21-12-15-5-9-17(25-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1472618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).