N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

C18H28ClN3O2S — CID 119676658

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)C1CCCNC1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-11(12-5-4-6-19-10-12)7-15(23)21-17-20-13-8-18(2,3)9-14(22)16(13)24-17;/h11-12,19H,4-10H2,1-3H3,(H,20,21,23);1H
InChIKeyXCDSTYKQLYNXJR-UHFFFAOYSA-N
MW385.96 g/mol
LogP3.68
Rot. Bonds4

About N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119676658) has the molecular formula C18H28ClN3O2S and a molecular weight of 385.96 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119676658
Molecular FormulaC18H28ClN3O2S
Molecular Weight385.96 g/mol
Exact Mass385.16
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)C1CCCNC1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-11(12-5-4-6-19-10-12)7-15(23)21-17-20-13-8-18(2,3)9-14(22)16(13)24-17;/h11-12,19H,4-10H2,1-3H3,(H,20,21,23);1H
InChIKeyXCDSTYKQLYNXJR-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride with MolForge

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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;dihydrochloride
CID 119828534
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide
CID 119828535
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-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679508
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 2055840
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777365
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methylpent-2-enamide
CID 4053420

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119676658) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)C1CCCNC1.Cl.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XCDSTYKQLYNXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S.ClH/c1-11(12-5-4-6-19-10-12)7-15(23)21-17-20-13-8-18(2,3)9-14(22)16(13)24-17;/h11-12,19H,4-10H2,1-3H3,(H,20,21,23);1H.
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 385.96 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119676658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).