N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide

C13H12N2O3S — CID 110699526

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide
SMILESCc1nc(NC(=O)c2cccc3c2OCO3)sc1C
InChIInChI=1S/C13H12N2O3S/c1-7-8(2)19-13(14-7)15-12(16)9-4-3-5-10-11(9)18-6-17-10/h3-5H,6H2,1-2H3,(H,14,15,16)
InChIKeyAJLOENFMSULPNZ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.74
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide (PubChem CID 110699526) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide
PubChem CID110699526
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide
SMILESCc1nc(NC(=O)c2cccc3c2OCO3)sc1C
InChIInChI=1S/C13H12N2O3S/c1-7-8(2)19-13(14-7)15-12(16)9-4-3-5-10-11(9)18-6-17-10/h3-5H,6H2,1-2H3,(H,14,15,16)
InChIKeyAJLOENFMSULPNZ-UHFFFAOYSA-N
XLogP2.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(1,3-benzodioxole-4-carbonylamino)anthracen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 101095834
N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699494
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylsulfanylbenzamide
CID 47098613
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 110700966
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55966907
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(methylamino)-2-nitrobenzamide
CID 115548885
2-(1,3-benzodioxole-4-carbonylamino)-2-methylpropanoic acid
CID 110834795
(2S)-2-(1,3-benzodioxole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 97233952
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178330
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide (CID 110699526) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide is Cc1nc(NC(=O)c2cccc3c2OCO3)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide?
The InChIKey is AJLOENFMSULPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-8(2)19-13(14-7)15-12(16)9-4-3-5-10-11(9)18-6-17-10/h3-5H,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 110699526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).