4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide

C18H16N2O3S — CID 10042872

IUPAC4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-13-7-3-11(4-8-13)15-16(24-18(20-15)17(19)21)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H2,19,21)
InChIKeyDNFFPKAUGCPVSV-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.59
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide

4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 10042872) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
PubChem CID10042872
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-13-7-3-11(4-8-13)15-16(24-18(20-15)17(19)21)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H2,19,21)
InChIKeyDNFFPKAUGCPVSV-UHFFFAOYSA-N
XLogP3.59
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide (CID 10042872) is 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide is COc1ccc(-c2nc(C(N)=O)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is DNFFPKAUGCPVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-13-7-3-11(4-8-13)15-16(24-18(20-15)17(19)21)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H2,19,21).
What are the key properties of 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide?
4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 10042872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).