5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride

C19H23Cl2N3O2S — CID 119558438

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H21N3O2S.2ClH/c23-18(21-11-9-13-4-3-10-20-12-13)15-7-8-16(24-15)19-22-14-5-1-2-6-17(14)25-19;;/h1-2,5-8,13,20H,3-4,9-12H2,(H,21,23);2*1H
InChIKeyHDCIGKNKIKLQTE-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.52
Rot. Bonds5

About 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride

5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride (PubChem CID 119558438) has the molecular formula C19H23Cl2N3O2S and a molecular weight of 428.39 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride
PubChem CID119558438
Molecular FormulaC19H23Cl2N3O2S
Molecular Weight428.39 g/mol
Exact Mass427.09
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H21N3O2S.2ClH/c23-18(21-11-9-13-4-3-10-20-12-13)15-7-8-16(24-15)19-22-14-5-1-2-6-17(14)25-19;;/h1-2,5-8,13,20H,3-4,9-12H2,(H,21,23);2*1H
InChIKeyHDCIGKNKIKLQTE-UHFFFAOYSA-N
XLogP4.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 119463481
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119556582
5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
CID 49067839
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 78847259
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323
N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 119611726
N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119558250

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride (CID 119558438) is 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCCNC1)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride?
The InChIKey is HDCIGKNKIKLQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.2ClH/c23-18(21-11-9-13-4-3-10-20-12-13)15-7-8-16(24-15)19-22-14-5-1-2-6-17(14)25-19;;/h1-2,5-8,13,20H,3-4,9-12H2,(H,21,23);2*1H.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride?
5-(1,3-benzothiazol-2-yl)-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride has a molecular weight of 428.39 g/mol, XLogP of 4.52, 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-(2-piperidin-3-ylethyl)furan-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119558438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).