N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C14H20N4OS — CID 49448899

IUPACN-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CCCC#N)CC1
InChIInChI=1S/C14H20N4OS/c1-11-13(20-10-16-11)14(19)17-12-4-8-18(9-5-12)7-3-2-6-15/h10,12H,2-5,7-9H2,1H3,(H,17,19)
InChIKeyUMCHTAQPKXJJRG-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.95
Rot. Bonds5

About N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49448899) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49448899
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CCCC#N)CC1
InChIInChI=1S/C14H20N4OS/c1-11-13(20-10-16-11)14(19)17-12-4-8-18(9-5-12)7-3-2-6-15/h10,12H,2-5,7-9H2,1H3,(H,17,19)
InChIKeyUMCHTAQPKXJJRG-UHFFFAOYSA-N
XLogP1.95
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49448899) is N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(CCCC#N)CC1.
What is the InChIKey of N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UMCHTAQPKXJJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-13(20-10-16-11)14(19)17-12-4-8-18(9-5-12)7-3-2-6-15/h10,12H,2-5,7-9H2,1H3,(H,17,19).
What are the key properties of N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49448899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).