1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide

C15H25N5O2S — CID 50978391

IUPAC1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C15H25N5O2S/c1-10(2)13-12(23-18-17-13)8-16-14(21)11-6-5-7-20(9-11)15(22)19(3)4/h10-11H,5-9H2,1-4H3,(H,16,21)
InChIKeyBWJWPAQHTGBMRF-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.67
Rot. Bonds4

About 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 50978391) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID50978391
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C15H25N5O2S/c1-10(2)13-12(23-18-17-13)8-16-14(21)11-6-5-7-20(9-11)15(22)19(3)4/h10-11H,5-9H2,1-4H3,(H,16,21)
InChIKeyBWJWPAQHTGBMRF-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide (CID 50978391) is 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide is CC(C)c1nnsc1CNC(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is BWJWPAQHTGBMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-10(2)13-12(23-18-17-13)8-16-14(21)11-6-5-7-20(9-11)15(22)19(3)4/h10-11H,5-9H2,1-4H3,(H,16,21).
What are the key properties of 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 339.47 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 50978391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).