N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide

C15H25N5O2S — CID 121020456

IUPACN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C15H25N5O2S/c1-4-5-12-13(23-18-17-12)14(21)16-10-11-6-8-20(9-7-11)15(22)19(2)3/h11H,4-10H2,1-3H3,(H,16,21)
InChIKeyHIVXTSXHDGXKMK-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.61
Rot. Bonds5

About N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide

N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 121020456) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide
PubChem CID121020456
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C15H25N5O2S/c1-4-5-12-13(23-18-17-12)14(21)16-10-11-6-8-20(9-7-11)15(22)19(2)3/h11H,4-10H2,1-3H3,(H,16,21)
InChIKeyHIVXTSXHDGXKMK-UHFFFAOYSA-N
XLogP1.61
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide (CID 121020456) is N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is HIVXTSXHDGXKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-4-5-12-13(23-18-17-12)14(21)16-10-11-6-8-20(9-7-11)15(22)19(2)3/h11H,4-10H2,1-3H3,(H,16,21).
What are the key properties of N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide?
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 339.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 121020456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).