N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

C17H16N6S2 — CID 44522317

IUPACN-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESc1cn(CCCNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cn1
InChIInChI=1S/C17H16N6S2/c1(6-23-7-4-18-12-23)3-20-17-21-10-14(13-2-8-24-11-13)15(22-17)16-19-5-9-25-16/h2,4-5,7-12H,1,3,6H2,(H,20,21,22)
InChIKeyZJGXZQGEACIKFM-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.03
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522317) has the molecular formula C17H16N6S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522317
Molecular FormulaC17H16N6S2
Molecular Weight368.49 g/mol
Exact Mass368.09
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESc1cn(CCCNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cn1
InChIInChI=1S/C17H16N6S2/c1(6-23-7-4-18-12-23)3-20-17-21-10-14(13-2-8-24-11-13)15(22-17)16-19-5-9-25-16/h2,4-5,7-12H,1,3,6H2,(H,20,21,22)
InChIKeyZJGXZQGEACIKFM-UHFFFAOYSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522317) is N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is c1cn(CCCNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is ZJGXZQGEACIKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S2/c1(6-23-7-4-18-12-23)3-20-17-21-10-14(13-2-8-24-11-13)15(22-17)16-19-5-9-25-16/h2,4-5,7-12H,1,3,6H2,(H,20,21,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 368.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).