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

C13H19N5OS — CID 65205676

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C13H19N5OS/c1-2-3-11-12(20-17-16-11)13(19)15-10-4-7-18(8-5-10)9-6-14/h10H,2-5,7-9H2,1H3,(H,15,19)
InChIKeyWZTSZFTVAXUIBE-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.21
Rot. Bonds5

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

N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide (PubChem CID 65205676) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide
PubChem CID65205676
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C13H19N5OS/c1-2-3-11-12(20-17-16-11)13(19)15-10-4-7-18(8-5-10)9-6-14/h10H,2-5,7-9H2,1H3,(H,15,19)
InChIKeyWZTSZFTVAXUIBE-UHFFFAOYSA-N
XLogP1.21
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 30768347
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 65205264
N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 113233064
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353
4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 113384238
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203
N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 63627481
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666
1-[1-(cyanomethyl)piperidin-4-yl]-3-methylurea
CID 78948240

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide (CID 65205676) is N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1CCN(CC#N)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is WZTSZFTVAXUIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-3-11-12(20-17-16-11)13(19)15-10-4-7-18(8-5-10)9-6-14/h10H,2-5,7-9H2,1H3,(H,15,19).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide?
N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).