N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide

C15H19N3O2S — CID 104596064

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)C3(C)CCCCN3)sc2c1
InChIInChI=1S/C15H19N3O2S/c1-15(7-3-4-8-16-15)13(19)18-14-17-11-6-5-10(20-2)9-12(11)21-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyQUOFBPHQKMLTQA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596064) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide
PubChem CID104596064
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)C3(C)CCCCN3)sc2c1
InChIInChI=1S/C15H19N3O2S/c1-15(7-3-4-8-16-15)13(19)18-14-17-11-6-5-10(20-2)9-12(11)21-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyQUOFBPHQKMLTQA-UHFFFAOYSA-N
XLogP2.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943598
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
trans-(1S,2S)-2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6974913
6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 79519042
3-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-bis(methylsulfanyl)urea
CID 22299752
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide (CID 104596064) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide is COc1ccc2nc(NC(=O)C3(C)CCCCN3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide?
The InChIKey is QUOFBPHQKMLTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(7-3-4-8-16-15)13(19)18-14-17-11-6-5-10(20-2)9-12(11)21-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).