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

C24H18N2O3S — CID 24505672

IUPACN-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1sc(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H18N2O3S/c27-24(25-18-11-12-19-20(14-18)29-15-28-19)23-22(17-9-5-2-6-10-17)26-21(30-23)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2,(H,25,27)
InChIKeyNDNQMFAIOLYKLQ-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.38
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 24505672) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID24505672
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1sc(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H18N2O3S/c27-24(25-18-11-12-19-20(14-18)29-15-28-19)23-22(17-9-5-2-6-10-17)26-21(30-23)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2,(H,25,27)
InChIKeyNDNQMFAIOLYKLQ-UHFFFAOYSA-N
XLogP5.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 18280337
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
N-(1,3-benzodioxol-5-yl)-5-[[(2-phenylacetyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099994
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115695
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3236662
N-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71940524
1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
CID 90546597
N-(1,3-benzodioxol-5-yl)-1-benzyltriazole-4-carboxamide
CID 31699405
4-N-(1,3-benzodioxol-5-yl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046758
N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 110650976
N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9084680
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 24505672) is N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1sc(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is NDNQMFAIOLYKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c27-24(25-18-11-12-19-20(14-18)29-15-28-19)23-22(17-9-5-2-6-10-17)26-21(30-23)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 5.38, 5 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)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24505672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).