N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride

C16H26ClN3OS — CID 119316773

IUPACN-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCc1nc2c(s1)CCCC2)C1CCCCN1
InChIInChI=1S/C16H25N3OS.ClH/c20-16(13-7-3-4-10-17-13)18-11-5-9-15-19-12-6-1-2-8-14(12)21-15;/h13,17H,1-11H2,(H,18,20);1H
InChIKeyCCNAHFXEZPUVBL-UHFFFAOYSA-N
MW343.92 g/mol
LogP2.63
Rot. Bonds5

About N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride

N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119316773) has the molecular formula C16H26ClN3OS and a molecular weight of 343.92 g/mol. Its IUPAC name is N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119316773
Molecular FormulaC16H26ClN3OS
Molecular Weight343.92 g/mol
Exact Mass343.15
IUPAC NameN-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCc1nc2c(s1)CCCC2)C1CCCCN1
InChIInChI=1S/C16H25N3OS.ClH/c20-16(13-7-3-4-10-17-13)18-11-5-9-15-19-12-6-1-2-8-14(12)21-15;/h13,17H,1-11H2,(H,18,20);1H
InChIKeyCCNAHFXEZPUVBL-UHFFFAOYSA-N
XLogP2.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.92
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide
CID 124702973
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 54968732
(2S)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119290959
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 102554241
3-oxo-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]butanamide
CID 110460663
1-amino-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopentane-1-carboxamide
CID 119316792
(E)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]but-2-enamide
CID 110459785
5-oxo-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylamino]pentanoic acid
CID 110442636
4-fluoro-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
CID 110441669
(2R)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]piperidine-2-carboxamide
CID 119872033
4-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000314

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride (CID 119316773) is N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCCCc1nc2c(s1)CCCC2)C1CCCCN1.
What is the InChIKey of N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is CCNAHFXEZPUVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS.ClH/c20-16(13-7-3-4-10-17-13)18-11-5-9-15-19-12-6-1-2-8-14(12)21-15;/h13,17H,1-11H2,(H,18,20);1H.
What are the key properties of N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride?
N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 343.92 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119316773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).