5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide

C21H18N4O3S — CID 55501236

IUPAC5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H18N4O3S/c26-20(23-14-5-8-19(22-13-14)25-9-11-27-12-10-25)16-6-7-17(28-16)21-24-15-3-1-2-4-18(15)29-21/h1-8,13H,9-12H2,(H,23,26)
InChIKeyNOXQPWVIRRLDGJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.04
Rot. Bonds4

About 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide (PubChem CID 55501236) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide
PubChem CID55501236
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H18N4O3S/c26-20(23-14-5-8-19(22-13-14)25-9-11-27-12-10-25)16-6-7-17(28-16)21-24-15-3-1-2-4-18(15)29-21/h1-8,13H,9-12H2,(H,23,26)
InChIKeyNOXQPWVIRRLDGJ-UHFFFAOYSA-N
XLogP4.04
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide (CID 55501236) is 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide?
The InChIKey is NOXQPWVIRRLDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c26-20(23-14-5-8-19(22-13-14)25-9-11-27-12-10-25)16-6-7-17(28-16)21-24-15-3-1-2-4-18(15)29-21/h1-8,13H,9-12H2,(H,23,26).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 55501236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).