N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide

C17H12N2O3S — CID 126852638

IUPACN-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1ccc(-c2ccoc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C17H12N2O3S/c20-17(11-1-3-14-16(7-11)23-10-19-14)18-8-13-2-4-15(22-13)12-5-6-21-9-12/h1-7,9-10H,8H2,(H,18,20)
InChIKeyOTRHZCYDSLJSPQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.08
Rot. Bonds4

About N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide

N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 126852638) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID126852638
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC NameN-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1ccc(-c2ccoc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C17H12N2O3S/c20-17(11-1-3-14-16(7-11)23-10-19-14)18-8-13-2-4-15(22-13)12-5-6-21-9-12/h1-7,9-10H,8H2,(H,18,20)
InChIKeyOTRHZCYDSLJSPQ-UHFFFAOYSA-N
XLogP4.08
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-pyrrol-1-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 90500517
N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 122244115
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17491209
N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60735987
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
2-[(1,3-benzothiazole-6-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379878
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17397618
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106122209
N-[(4-pentylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 59192291

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide (CID 126852638) is N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide is O=C(NCc1ccc(-c2ccoc2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is OTRHZCYDSLJSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-17(11-1-3-14-16(7-11)23-10-19-14)18-8-13-2-4-15(22-13)12-5-6-21-9-12/h1-7,9-10H,8H2,(H,18,20).
What are the key properties of N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 126852638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).