N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C14H17N3OS — CID 18072655

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCCNC3)sc2c1
InChIInChI=1S/C14H17N3OS/c1-9-4-5-11-12(7-9)19-14(16-11)17-13(18)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17,18)
InChIKeyKMWDZAUPQYKXEQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.54
Rot. Bonds2

About N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 18072655) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID18072655
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCCNC3)sc2c1
InChIInChI=1S/C14H17N3OS/c1-9-4-5-11-12(7-9)19-14(16-11)17-13(18)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17,18)
InChIKeyKMWDZAUPQYKXEQ-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176221
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
cis-(1S,2R)-2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6949082
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 18072655) is N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is Cc1ccc2nc(NC(=O)C3CCCNC3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is KMWDZAUPQYKXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-4-5-11-12(7-9)19-14(16-11)17-13(18)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17,18).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 18072655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).