1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone

C14H17N3OS — CID 119562736

IUPAC1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C14H17N3OS/c1-15-11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)19-9-16-12/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyRTYCUBFRQHKEGX-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.12
Rot. Bonds2

About 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119562736) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119562736
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C14H17N3OS/c1-15-11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)19-9-16-12/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyRTYCUBFRQHKEGX-UHFFFAOYSA-N
XLogP2.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
1-(1,3-benzothiazole-6-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123521
1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7096348
1,3-benzothiazol-6-yl-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 47017726
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275
(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458
1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 24575268
1,3-benzothiazol-6-yl-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947149
1,3-benzothiazol-6-yl-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 9450209
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
1,3-benzothiazol-6-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61410984

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone (CID 119562736) is 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccc3ncsc3c2)CC1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is RTYCUBFRQHKEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-15-11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)19-9-16-12/h2-3,8-9,11,15H,4-7H2,1H3.
What are the key properties of 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 275.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119562736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).