(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide

C13H19N3OS — CID 96568434

IUPAC(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)Nc2nc(C3CC3)cs2)C1
InChIInChI=1S/C13H19N3OS/c1-16-6-2-3-10(7-16)12(17)15-13-14-11(8-18-13)9-4-5-9/h8-10H,2-7H2,1H3,(H,14,15,17)/t10-/m0/s1
InChIKeyPJOQVEDJKFJOGT-JTQLQIEISA-N
MW265.38 g/mol
LogP2.30
Rot. Bonds3

About (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide

(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide (PubChem CID 96568434) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide
PubChem CID96568434
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)Nc2nc(C3CC3)cs2)C1
InChIInChI=1S/C13H19N3OS/c1-16-6-2-3-10(7-16)12(17)15-13-14-11(8-18-13)9-4-5-9/h8-10H,2-7H2,1H3,(H,14,15,17)/t10-/m0/s1
InChIKeyPJOQVEDJKFJOGT-JTQLQIEISA-N
XLogP2.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide (CID 96568434) is (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide is CN1CCC[C@H](C(=O)Nc2nc(C3CC3)cs2)C1.
What is the InChIKey of (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide?
The InChIKey is PJOQVEDJKFJOGT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16-6-2-3-10(7-16)12(17)15-13-14-11(8-18-13)9-4-5-9/h8-10H,2-7H2,1H3,(H,14,15,17)/t10-/m0/s1.
What are the key properties of (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide?
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 96568434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).