4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide

C15H26N4OS — CID 116672019

IUPAC4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
SMILESCCCCCCCCNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C15H26N4OS/c1-2-3-4-5-6-7-10-17-14(20)12-13(16)19-15(21-12)18-11-8-9-11/h11H,2-10,16H2,1H3,(H,17,20)(H,18,19)
InChIKeySOFYDJPYJXDPEK-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.39
Rot. Bonds10

About 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide (PubChem CID 116672019) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
PubChem CID116672019
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
SMILESCCCCCCCCNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C15H26N4OS/c1-2-3-4-5-6-7-10-17-14(20)12-13(16)19-15(21-12)18-11-8-9-11/h11H,2-10,16H2,1H3,(H,17,20)(H,18,19)
InChIKeySOFYDJPYJXDPEK-UHFFFAOYSA-N
XLogP3.39
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-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

4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide
CID 106015527
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
CID 116663846
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 114102698

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide (CID 116672019) is 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide is CCCCCCCCNC(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide?
The InChIKey is SOFYDJPYJXDPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-2-3-4-5-6-7-10-17-14(20)12-13(16)19-15(21-12)18-11-8-9-11/h11H,2-10,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 3.39, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).