6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine

C13H17N3S — CID 116994108

IUPAC6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(CC3CCCNC3)cc2s1
InChIInChI=1S/C13H17N3S/c14-13-16-11-4-3-9(7-12(11)17-13)6-10-2-1-5-15-8-10/h3-4,7,10,15H,1-2,5-6,8H2,(H2,14,16)
InChIKeyDSGMRHIHWPRTBR-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.42
Rot. Bonds2

About 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine

6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 116994108) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID116994108
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(CC3CCCNC3)cc2s1
InChIInChI=1S/C13H17N3S/c14-13-16-11-4-3-9(7-12(11)17-13)6-10-2-1-5-15-8-10/h3-4,7,10,15H,1-2,5-6,8H2,(H2,14,16)
InChIKeyDSGMRHIHWPRTBR-UHFFFAOYSA-N
XLogP2.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648
6-bromo-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 79533850
2-amino-4-(piperidin-3-ylmethyl)phenol
CID 117117980
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 116994141
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
4-(azepan-3-ylmethyl)aniline
CID 131866248
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine (CID 116994108) is 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(CC3CCCNC3)cc2s1.
What is the InChIKey of 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is DSGMRHIHWPRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c14-13-16-11-4-3-9(7-12(11)17-13)6-10-2-1-5-15-8-10/h3-4,7,10,15H,1-2,5-6,8H2,(H2,14,16).
What are the key properties of 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine?
6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 116994108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).