N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

C24H18N2O4S — CID 18280337

IUPACN-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCO4)s2)c1
InChIInChI=1S/C24H18N2O4S/c1-28-18-9-5-8-16(12-18)24-26-21(15-6-3-2-4-7-15)22(31-24)23(27)25-17-10-11-19-20(13-17)30-14-29-19/h2-13H,14H2,1H3,(H,25,27)
InChIKeyRDYHZOQJEIOZPE-UHFFFAOYSA-N
MW430.49 g/mol
LogP5.47
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 18280337) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID18280337
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCO4)s2)c1
InChIInChI=1S/C24H18N2O4S/c1-28-18-9-5-8-16(12-18)24-26-21(15-6-3-2-4-7-15)22(31-24)23(27)25-17-10-11-19-20(13-17)30-14-29-19/h2-13H,14H2,1H3,(H,25,27)
InChIKeyRDYHZOQJEIOZPE-UHFFFAOYSA-N
XLogP5.47
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24505672
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200
N-(3-methoxyphenyl)-4-phenyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
CID 60529003
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356158
N-(1,3-benzodioxol-5-yl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562630
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 7998095
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3236662

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 18280337) is N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is COc1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCO4)s2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is RDYHZOQJEIOZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c1-28-18-9-5-8-16(12-18)24-26-21(15-6-3-2-4-7-15)22(31-24)23(27)25-17-10-11-19-20(13-17)30-14-29-19/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18280337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).