2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C17H13N3O5S — CID 46113981

IUPAC2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCc2ccco2)cs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H13N3O5S/c21-15(10-3-4-13-14(6-10)25-9-24-13)20-17-19-12(8-26-17)16(22)18-7-11-2-1-5-23-11/h1-6,8H,7,9H2,(H,18,22)(H,19,20,21)
InChIKeyXYEAZTXRWXMPIA-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.65
Rot. Bonds5

About 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46113981) has the molecular formula C17H13N3O5S and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID46113981
Molecular FormulaC17H13N3O5S
Molecular Weight371.37 g/mol
Exact Mass371.06
IUPAC Name2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCc2ccco2)cs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H13N3O5S/c21-15(10-3-4-13-14(6-10)25-9-24-13)20-17-19-12(8-26-17)16(22)18-7-11-2-1-5-23-11/h1-6,8H,7,9H2,(H,18,22)(H,19,20,21)
InChIKeyXYEAZTXRWXMPIA-UHFFFAOYSA-N
XLogP2.65
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915083
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 46114003
N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555759
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555699
(4R)-2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 40935995
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 46113982
N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112981821
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040678
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 94282177

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46113981) is 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)NCc2ccco2)cs1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XYEAZTXRWXMPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5S/c21-15(10-3-4-13-14(6-10)25-9-24-13)20-17-19-12(8-26-17)16(22)18-7-11-2-1-5-23-11/h1-6,8H,7,9H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).