tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate

C15H23N3O3S — CID 56783013

IUPACtert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1nccs1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)21-14(20)18-8-5-4-6-11(18)13(19)17-10-12-16-7-9-22-12/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyIGFFSBZYJWYBDS-NSHDSACASA-N
MW325.43 g/mol
LogP2.55
Rot. Bonds3

About tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate

tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 56783013) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
PubChem CID56783013
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nametert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1nccs1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)21-14(20)18-8-5-4-6-11(18)13(19)17-10-12-16-7-9-22-12/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyIGFFSBZYJWYBDS-NSHDSACASA-N
XLogP2.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate (CID 56783013) is tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1nccs1.
What is the InChIKey of tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is IGFFSBZYJWYBDS-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-15(2,3)21-14(20)18-8-5-4-6-11(18)13(19)17-10-12-16-7-9-22-12/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,19)/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 56783013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).