N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride

C17H24Cl2N4OS — CID 119839152

IUPACN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CCCNC1
InChIInChI=1S/C17H22N4OS.2ClH/c22-16(12-4-3-7-18-11-12)19-13-5-6-14-15(10-13)23-17(20-14)21-8-1-2-9-21;;/h5-6,10,12,18H,1-4,7-9,11H2,(H,19,22);2*1H
InChIKeyFYAGDIDGQCUBLV-UHFFFAOYSA-N
MW403.38 g/mol
LogP3.68
Rot. Bonds3

About N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride

N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119839152) has the molecular formula C17H24Cl2N4OS and a molecular weight of 403.38 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119839152
Molecular FormulaC17H24Cl2N4OS
Molecular Weight403.38 g/mol
Exact Mass402.10
IUPAC NameN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CCCNC1
InChIInChI=1S/C17H22N4OS.2ClH/c22-16(12-4-3-7-18-11-12)19-13-5-6-14-15(10-13)23-17(20-14)21-8-1-2-9-21;;/h5-6,10,12,18H,1-4,7-9,11H2,(H,19,22);2*1H
InChIKeyFYAGDIDGQCUBLV-UHFFFAOYSA-N
XLogP3.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide
CID 119839215
1,1-dioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thiolane-3-carboxamide
CID 42932681
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
CID 119833487
3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833449
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
3-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119839175
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24599674
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
(2S,5R)-5-(aminomethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797486
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 55150236

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride (CID 119839152) is N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CCCNC1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is FYAGDIDGQCUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS.2ClH/c22-16(12-4-3-7-18-11-12)19-13-5-6-14-15(10-13)23-17(20-14)21-8-1-2-9-21;;/h5-6,10,12,18H,1-4,7-9,11H2,(H,19,22);2*1H.
What are the key properties of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride?
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 403.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119839152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).