(2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide

C14H17N3OS — CID 99840974

IUPAC(2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCCCN1C(=O)Nc1ccc2sncc2c1
InChIInChI=1S/C14H17N3OS/c1-10-4-2-3-7-17(10)14(18)16-12-5-6-13-11(8-12)9-15-19-13/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyATBYYIHAJHALCY-JTQLQIEISA-N
MW275.38 g/mol
LogP3.70
Rot. Bonds1

About (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide

(2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide (PubChem CID 99840974) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide
PubChem CID99840974
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCCCN1C(=O)Nc1ccc2sncc2c1
InChIInChI=1S/C14H17N3OS/c1-10-4-2-3-7-17(10)14(18)16-12-5-6-13-11(8-12)9-15-19-13/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyATBYYIHAJHALCY-JTQLQIEISA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide (CID 99840974) is (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide is C[C@H]1CCCCN1C(=O)Nc1ccc2sncc2c1.
What is the InChIKey of (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide?
The InChIKey is ATBYYIHAJHALCY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-4-2-3-7-17(10)14(18)16-12-5-6-13-11(8-12)9-15-19-13/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide?
(2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 99840974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).