5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide

C23H28N3O3S+ — CID 9451759

IUPAC5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C23H27N3O3S/c27-21(24-16-23(10-4-1-5-11-23)26-12-14-28-15-13-26)18-8-9-19(29-18)22-25-17-6-2-3-7-20(17)30-22/h2-3,6-9H,1,4-5,10-16H2,(H,24,27)/p+1
InChIKeyJXMVFBOCRFRISR-UHFFFAOYSA-O
MW426.56 g/mol
LogP2.90
Rot. Bonds5

About 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide (PubChem CID 9451759) has the molecular formula C23H28N3O3S+ and a molecular weight of 426.56 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide
PubChem CID9451759
Molecular FormulaC23H28N3O3S+
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C23H27N3O3S/c27-21(24-16-23(10-4-1-5-11-23)26-12-14-28-15-13-26)18-8-9-19(29-18)22-25-17-6-2-3-7-20(17)30-22/h2-3,6-9H,1,4-5,10-16H2,(H,24,27)/p+1
InChIKeyJXMVFBOCRFRISR-UHFFFAOYSA-O
XLogP2.90
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide
CID 51941830
5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
CID 49067839
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275804
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 78847259
5-(1,3-benzothiazol-2-yl)-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 119463481
5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 55479527
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
5-(1,3-benzothiazol-2-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)furan-2-carboxamide
CID 51109924

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide (CID 9451759) is 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide is O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide?
The InChIKey is JXMVFBOCRFRISR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27N3O3S/c27-21(24-16-23(10-4-1-5-11-23)26-12-14-28-15-13-26)18-8-9-19(29-18)22-25-17-6-2-3-7-20(17)30-22/h2-3,6-9H,1,4-5,10-16H2,(H,24,27)/p+1.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 9451759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).