2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C18H13N3O2S — CID 1243722

IUPAC2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C18H13N3O2S/c22-17(20-11-12-5-4-10-23-12)13-6-3-9-19-16(13)18-21-14-7-1-2-8-15(14)24-18/h1-10H,11H2,(H,20,22)
InChIKeyBYJYAJXBLJXBPO-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.88
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide

2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 1243722) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID1243722
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C18H13N3O2S/c22-17(20-11-12-5-4-10-23-12)13-6-3-9-19-16(13)18-21-14-7-1-2-8-15(14)24-18/h1-10H,11H2,(H,20,22)
InChIKeyBYJYAJXBLJXBPO-UHFFFAOYSA-N
XLogP3.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 1243722) is 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BYJYAJXBLJXBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17(20-11-12-5-4-10-23-12)13-6-3-9-19-16(13)18-21-14-7-1-2-8-15(14)24-18/h1-10H,11H2,(H,20,22).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1243722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).