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

C17H12N2O3S — CID 110650976

IUPACN-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ncsc1-c1ccccc1
InChIInChI=1S/C17H12N2O3S/c20-17(19-12-6-7-13-14(8-12)22-10-21-13)15-16(23-9-18-15)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyZHMXICNJZXWIOL-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.79
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 110650976) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID110650976
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ncsc1-c1ccccc1
InChIInChI=1S/C17H12N2O3S/c20-17(19-12-6-7-13-14(8-12)22-10-21-13)15-16(23-9-18-15)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyZHMXICNJZXWIOL-UHFFFAOYSA-N
XLogP3.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110650765
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
N-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554062
2-anilino-N-(1,3-benzodioxol-5-yl)pyrimidine-5-carboxamide
CID 109265250
N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24505672
5-(1,3-benzodioxol-5-ylcarbamoyl)thiophene-2-carboxylic acid
CID 43414348
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304
N-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828830
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide (CID 110650976) is N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ncsc1-c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZHMXICNJZXWIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-17(19-12-6-7-13-14(8-12)22-10-21-13)15-16(23-9-18-15)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110650976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).