(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone

C14H16N2OS — CID 3581764

IUPAC(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
SMILESCc1nc2ccc(C(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C14H16N2OS/c1-10-15-12-6-5-11(9-13(12)18-10)14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKMCDEDNTISQMFO-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.23
Rot. Bonds1

About (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone

(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone (PubChem CID 3581764) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
PubChem CID3581764
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
SMILESCc1nc2ccc(C(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C14H16N2OS/c1-10-15-12-6-5-11(9-13(12)18-10)14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKMCDEDNTISQMFO-UHFFFAOYSA-N
XLogP3.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 136536370
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126798041
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153943
methyl 4-[[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate
CID 1136431
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
(3S)-1'-(2-methyl-1,3-benzothiazole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883017
[2-(2-hydroxy-5-methoxyphenyl)-1,3-benzothiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 135503693
N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide
CID 3147233
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
[2-(5-bromo-2-hydroxyphenyl)-1,3-benzothiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 135787890
methyl 1-(2-amino-1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylate
CID 110451323

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone (CID 3581764) is (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone is Cc1nc2ccc(C(=O)N3CCCCC3)cc2s1.
What is the InChIKey of (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone?
The InChIKey is KMCDEDNTISQMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-15-12-6-5-11(9-13(12)18-10)14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone?
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone has a molecular weight of 260.36 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 3581764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).