(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide

C14H23N3OS — CID 120645775

IUPAC(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCc1cnc(C(C)(C)NC(=O)[C@H]2CCN[C@@H](C)C2)s1
InChIInChI=1S/C14H23N3OS/c1-9-7-11(5-6-15-9)12(18)17-14(3,4)13-16-8-10(2)19-13/h8-9,11,15H,5-7H2,1-4H3,(H,17,18)/t9-,11-/m0/s1
InChIKeyIVCDLUAMOBLMNS-ONGXEEELSA-N
MW281.42 g/mol
LogP2.19
Rot. Bonds3

About (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 120645775) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
PubChem CID120645775
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCc1cnc(C(C)(C)NC(=O)[C@H]2CCN[C@@H](C)C2)s1
InChIInChI=1S/C14H23N3OS/c1-9-7-11(5-6-15-9)12(18)17-14(3,4)13-16-8-10(2)19-13/h8-9,11,15H,5-7H2,1-4H3,(H,17,18)/t9-,11-/m0/s1
InChIKeyIVCDLUAMOBLMNS-ONGXEEELSA-N
XLogP2.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide (CID 120645775) is (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide is Cc1cnc(C(C)(C)NC(=O)[C@H]2CCN[C@@H](C)C2)s1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is IVCDLUAMOBLMNS-ONGXEEELSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9-7-11(5-6-15-9)12(18)17-14(3,4)13-16-8-10(2)19-13/h8-9,11,15H,5-7H2,1-4H3,(H,17,18)/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 120645775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).