3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C17H28N4O2S — CID 72848352

IUPAC3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCc1nc(CCCNC(=O)C2CCCN(C(=O)N(C)C)C2)sc1C
InChIInChI=1S/C17H28N4O2S/c1-12-13(2)24-15(19-12)8-5-9-18-16(22)14-7-6-10-21(11-14)17(23)20(3)4/h14H,5-11H2,1-4H3,(H,18,22)
InChIKeyFUBIJHPMBOQUSX-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.20
Rot. Bonds5

About 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 72848352) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID72848352
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCc1nc(CCCNC(=O)C2CCCN(C(=O)N(C)C)C2)sc1C
InChIInChI=1S/C17H28N4O2S/c1-12-13(2)24-15(19-12)8-5-9-18-16(22)14-7-6-10-21(11-14)17(23)20(3)4/h14H,5-11H2,1-4H3,(H,18,22)
InChIKeyFUBIJHPMBOQUSX-UHFFFAOYSA-N
XLogP2.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 72848352) is 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is Cc1nc(CCCNC(=O)C2CCCN(C(=O)N(C)C)C2)sc1C.
What is the InChIKey of 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is FUBIJHPMBOQUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-12-13(2)24-15(19-12)8-5-9-18-16(22)14-7-6-10-21(11-14)17(23)20(3)4/h14H,5-11H2,1-4H3,(H,18,22).
What are the key properties of 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 72848352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).