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

C14H24N4O2S — CID 106015527

IUPAC4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)OCCCCNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C14H24N4O2S/c1-9(2)20-8-4-3-7-16-13(19)11-12(15)18-14(21-11)17-10-5-6-10/h9-10H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVSQKYNJNVRCGAF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.23
Rot. Bonds9

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

4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide (PubChem CID 106015527) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide
PubChem CID106015527
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)OCCCCNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C14H24N4O2S/c1-9(2)20-8-4-3-7-16-13(19)11-12(15)18-14(21-11)17-10-5-6-10/h9-10H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVSQKYNJNVRCGAF-UHFFFAOYSA-N
XLogP2.23
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.23
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-propan-2-yloxybutyl)-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-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclopropylamino)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666800
4-amino-2-(cyclopropylamino)-N-(2-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 116673098
4-amino-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854
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-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide (CID 106015527) is 4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide is CC(C)OCCCCNC(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VSQKYNJNVRCGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-9(2)20-8-4-3-7-16-13(19)11-12(15)18-14(21-11)17-10-5-6-10/h9-10H,3-8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.23, 9 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-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106015527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).