5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine

C13H17N3S — CID 164750164

IUPAC5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine
SMILESC[C@H]1CC[C@H](c2ccc3sc(N)nc3c2)NC1
InChIInChI=1S/C13H17N3S/c1-8-2-4-10(15-7-8)9-3-5-12-11(6-9)16-13(14)17-12/h3,5-6,8,10,15H,2,4,7H2,1H3,(H2,14,16)/t8-,10+/m0/s1
InChIKeyDTUWJWNGBMJPFQ-WCBMZHEXSA-N
MW247.37 g/mol
LogP2.94
Rot. Bonds1

About 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine

5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine (PubChem CID 164750164) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine
PubChem CID164750164
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine
SMILESC[C@H]1CC[C@H](c2ccc3sc(N)nc3c2)NC1
InChIInChI=1S/C13H17N3S/c1-8-2-4-10(15-7-8)9-3-5-12-11(6-9)16-13(14)17-12/h3,5-6,8,10,15H,2,4,7H2,1H3,(H2,14,16)/t8-,10+/m0/s1
InChIKeyDTUWJWNGBMJPFQ-WCBMZHEXSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine (CID 164750164) is 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine is C[C@H]1CC[C@H](c2ccc3sc(N)nc3c2)NC1.
What is the InChIKey of 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine?
The InChIKey is DTUWJWNGBMJPFQ-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-2-4-10(15-7-8)9-3-5-12-11(6-9)16-13(14)17-12/h3,5-6,8,10,15H,2,4,7H2,1H3,(H2,14,16)/t8-,10+/m0/s1.
What are the key properties of 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine?
5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 164750164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).