4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide

C13H23N5OS — CID 116665016

IUPAC4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCCNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C13H23N5OS/c1-18(2)8-4-3-7-15-12(19)10-11(14)17-13(20-10)16-9-5-6-9/h9H,3-8,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyBIKDLDQKEWIDDQ-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.37
Rot. Bonds8

About 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide (PubChem CID 116665016) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
PubChem CID116665016
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCCNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C13H23N5OS/c1-18(2)8-4-3-7-15-12(19)10-11(14)17-13(20-10)16-9-5-6-9/h9H,3-8,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyBIKDLDQKEWIDDQ-UHFFFAOYSA-N
XLogP1.37
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-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-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
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-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666308
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
4-amino-2-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116671849
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide (CID 116665016) is 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide is CN(C)CCCCNC(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BIKDLDQKEWIDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-18(2)8-4-3-7-15-12(19)10-11(14)17-13(20-10)16-9-5-6-9/h9H,3-8,14H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).