2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide

C13H22N4OS — CID 62794675

IUPAC2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1csc(N)n1
InChIInChI=1S/C13H22N4OS/c1-10-5-2-3-7-17(10)8-4-6-15-12(18)11-9-19-13(14)16-11/h9-10H,2-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyYVBPZGMCDWLLGX-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.72
Rot. Bonds5

About 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide

2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 62794675) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID62794675
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1csc(N)n1
InChIInChI=1S/C13H22N4OS/c1-10-5-2-3-7-17(10)8-4-6-15-12(18)11-9-19-13(14)16-11/h9-10H,2-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyYVBPZGMCDWLLGX-UHFFFAOYSA-N
XLogP1.72
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide;formic acid
CID 154908393
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62789140
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
2-(1-aminoethyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3868923
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113866
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 3702369
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 62794675) is 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is CC1CCCCN1CCCNC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YVBPZGMCDWLLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10-5-2-3-7-17(10)8-4-6-15-12(18)11-9-19-13(14)16-11/h9-10H,2-8H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62794675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).