N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride

C17H30Cl2N4OS — CID 119828534

IUPACN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCN1CCc2nc(NC(=O)CC(C)C3CCCNC3)sc2C1.Cl.Cl
InChIInChI=1S/C17H28N4OS.2ClH/c1-3-21-8-6-14-15(11-21)23-17(19-14)20-16(22)9-12(2)13-5-4-7-18-10-13;;/h12-13,18H,3-11H2,1-2H3,(H,19,20,22);2*1H
InChIKeySXUPWHOTMXCLGE-UHFFFAOYSA-N
MW409.43 g/mol
LogP3.33
Rot. Bonds5

About N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119828534) has the molecular formula C17H30Cl2N4OS and a molecular weight of 409.43 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119828534
Molecular FormulaC17H30Cl2N4OS
Molecular Weight409.43 g/mol
Exact Mass408.15
IUPAC NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCN1CCc2nc(NC(=O)CC(C)C3CCCNC3)sc2C1.Cl.Cl
InChIInChI=1S/C17H28N4OS.2ClH/c1-3-21-8-6-14-15(11-21)23-17(19-14)20-16(22)9-12(2)13-5-4-7-18-10-13;;/h12-13,18H,3-11H2,1-2H3,(H,19,20,22);2*1H
InChIKeySXUPWHOTMXCLGE-UHFFFAOYSA-N
XLogP3.33
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide
CID 119828535
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119676658
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine-2-carboxamide
CID 119828563
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679508
(2R)-2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 119828537
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120796855
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide
CID 29413460
1-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119828524
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride
CID 119901725

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119828534) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride is CCN1CCc2nc(NC(=O)CC(C)C3CCCNC3)sc2C1.Cl.Cl.
What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is SXUPWHOTMXCLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS.2ClH/c1-3-21-8-6-14-15(11-21)23-17(19-14)20-16(22)9-12(2)13-5-4-7-18-10-13;;/h12-13,18H,3-11H2,1-2H3,(H,19,20,22);2*1H.
What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 409.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119828534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).