methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate

C16H25N3O3S — CID 91784960

IUPACmethyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)NCCCc1nc(C)c(C)s1
InChIInChI=1S/C16H25N3O3S/c1-11-12(2)23-14(18-11)8-6-9-17-15(20)13-7-4-5-10-19(13)16(21)22-3/h13H,4-10H2,1-3H3,(H,17,20)
InChIKeyJCUFFEILGNHYJE-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.43
Rot. Bonds5

About methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate

methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate (PubChem CID 91784960) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate
PubChem CID91784960
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Namemethyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)NCCCc1nc(C)c(C)s1
InChIInChI=1S/C16H25N3O3S/c1-11-12(2)23-14(18-11)8-6-9-17-15(20)13-7-4-5-10-19(13)16(21)22-3/h13H,4-10H2,1-3H3,(H,17,20)
InChIKeyJCUFFEILGNHYJE-UHFFFAOYSA-N
XLogP2.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 124569912
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72898570
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72873347
methyl 2-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 91763287
(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 95990027
methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 137148249
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide
CID 97119377
methyl (2R)-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 95598034
methyl 2-(2-chloroacetyl)azepane-1-carboxylate
CID 104701440
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 118795070
tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate
CID 21019257
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91833958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate (CID 91784960) is methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCCC1C(=O)NCCCc1nc(C)c(C)s1.
What is the InChIKey of methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is JCUFFEILGNHYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-12(2)23-14(18-11)8-6-9-17-15(20)13-7-4-5-10-19(13)16(21)22-3/h13H,4-10H2,1-3H3,(H,17,20).
What are the key properties of methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate?
methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 91784960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).