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

C11H14N4OS — CID 113233064

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESN#CCN1CCC(NC(=O)c2cncs2)CC1
InChIInChI=1S/C11H14N4OS/c12-3-6-15-4-1-9(2-5-15)14-11(16)10-7-13-8-17-10/h7-9H,1-2,4-6H2,(H,14,16)
InChIKeyLKWWZMVFXGCPGF-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.86
Rot. Bonds3

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

N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 113233064) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID113233064
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESN#CCN1CCC(NC(=O)c2cncs2)CC1
InChIInChI=1S/C11H14N4OS/c12-3-6-15-4-1-9(2-5-15)14-11(16)10-7-13-8-17-10/h7-9H,1-2,4-6H2,(H,14,16)
InChIKeyLKWWZMVFXGCPGF-UHFFFAOYSA-N
XLogP0.86
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 113233064) is N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is N#CCN1CCC(NC(=O)c2cncs2)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LKWWZMVFXGCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-3-6-15-4-1-9(2-5-15)14-11(16)10-7-13-8-17-10/h7-9H,1-2,4-6H2,(H,14,16).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113233064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).