N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide

C13H10N2O2S — CID 972828

IUPACN-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C13H10N2O2S/c16-12(14-8-9-4-3-7-17-9)13-15-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,14,16)
InChIKeyLIQUEPWUXPKLNT-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.82
Rot. Bonds3

About N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide

N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 972828) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide
PubChem CID972828
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C13H10N2O2S/c16-12(14-8-9-4-3-7-17-9)13-15-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,14,16)
InChIKeyLIQUEPWUXPKLNT-UHFFFAOYSA-N
XLogP2.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide (CID 972828) is N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide is O=C(NCc1ccco1)c1nc2ccccc2s1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is LIQUEPWUXPKLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-12(14-8-9-4-3-7-17-9)13-15-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide?
N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 972828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).