N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine

C14H19N3S — CID 80553613

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
SMILESc1ccc2sc(CNCC3CCCNC3)nc2c1
InChIInChI=1S/C14H19N3S/c1-2-6-13-12(5-1)17-14(18-13)10-16-9-11-4-3-7-15-8-11/h1-2,5-6,11,15-16H,3-4,7-10H2
InChIKeyRTRZYDCDKRHUCJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.39
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine (PubChem CID 80553613) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
PubChem CID80553613
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
SMILESc1ccc2sc(CNCC3CCCNC3)nc2c1
InChIInChI=1S/C14H19N3S/c1-2-6-13-12(5-1)17-14(18-13)10-16-9-11-4-3-7-15-8-11/h1-2,5-6,11,15-16H,3-4,7-10H2
InChIKeyRTRZYDCDKRHUCJ-UHFFFAOYSA-N
XLogP2.39
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119269748
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide
CID 119461907
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107417972
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine
CID 82834430
5-(1,3-benzothiazol-2-yl)-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 119463481
3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919
2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole
CID 62358217
N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
CID 43003046
(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95606777
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide
CID 119268823
N-(1,3-benzothiazol-2-ylmethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 66396186

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine (CID 80553613) is N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine is c1ccc2sc(CNCC3CCCNC3)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine?
The InChIKey is RTRZYDCDKRHUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-2-6-13-12(5-1)17-14(18-13)10-16-9-11-4-3-7-15-8-11/h1-2,5-6,11,15-16H,3-4,7-10H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 80553613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).