5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine

C13H17N3S — CID 82383726

IUPAC5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine
SMILESCc1cc2nc(C3CCNCC3)sc2cc1N
InChIInChI=1S/C13H17N3S/c1-8-6-11-12(7-10(8)14)17-13(16-11)9-2-4-15-5-3-9/h6-7,9,15H,2-5,14H2,1H3
InChIKeyPUHVKTWMSFLEQJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.65
Rot. Bonds1

About 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine

5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine (PubChem CID 82383726) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine
PubChem CID82383726
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine
SMILESCc1cc2nc(C3CCNCC3)sc2cc1N
InChIInChI=1S/C13H17N3S/c1-8-6-11-12(7-10(8)14)17-13(16-11)9-2-4-15-5-3-9/h6-7,9,15H,2-5,14H2,1H3
InChIKeyPUHVKTWMSFLEQJ-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
CID 84639586
[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol
CID 164566999
4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole
CID 82373398
2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde
CID 169226523
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
5-nitro-2-piperidin-4-yl-1,3-benzothiazole
CID 142902771
5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
CID 84638397
2-aminobenzenethiol;piperidine-4-carboxylic acid;2-piperidin-4-yl-1,3-benzothiazole
CID 158462930
2-piperidin-4-yl-1,3-thiazol-5-amine
CID 172992650
5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 63030611
2-methyl-5-piperidin-4-ylaniline
CID 105444511

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine (CID 82383726) is 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine is Cc1cc2nc(C3CCNCC3)sc2cc1N.
What is the InChIKey of 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine?
The InChIKey is PUHVKTWMSFLEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-6-11-12(7-10(8)14)17-13(16-11)9-2-4-15-5-3-9/h6-7,9,15H,2-5,14H2,1H3.
What are the key properties of 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine?
5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine has a molecular weight of 247.37 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 82383726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).