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

C11H9N3O3S — CID 62787318

IUPAC2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C11H9N3O3S/c12-11-14-7(4-18-11)10(15)13-6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H2,12,14)(H,13,15)
InChIKeyCJOOYGOBZLLFIP-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.71
Rot. Bonds2

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

2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 62787318) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID62787318
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C11H9N3O3S/c12-11-14-7(4-18-11)10(15)13-6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H2,12,14)(H,13,15)
InChIKeyCJOOYGOBZLLFIP-UHFFFAOYSA-N
XLogP1.71
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506218
2-(1,3-benzodioxol-5-ylamino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 84555005
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46535966
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
2-(1,3-benzodioxol-5-ylamino)-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 84555006
2-(1,3-benzodioxol-5-ylamino)-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84555032
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 16914985
2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62786857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide (CID 62787318) is 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc3c(c2)OCO3)cs1.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CJOOYGOBZLLFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-11-14-7(4-18-11)10(15)13-6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).