4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine

C21H18FN5OS — CID 46948292

IUPAC4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1
InChIInChI=1S/C21H18FN5OS/c22-15-8-6-14(7-9-15)10-17(23)18-12-29-21(26-18)27-19-11-20(25-13-24-19)28-16-4-2-1-3-5-16/h1-9,11-13,17H,10,23H2,(H,24,25,26,27)
InChIKeyQQLNVFCIFNEIPV-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.85
Rot. Bonds7

About 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine

4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 46948292) has the molecular formula C21H18FN5OS and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID46948292
Molecular FormulaC21H18FN5OS
Molecular Weight407.47 g/mol
Exact Mass407.12
IUPAC Name4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1
InChIInChI=1S/C21H18FN5OS/c22-15-8-6-14(7-9-15)10-17(23)18-12-29-21(26-18)27-19-11-20(25-13-24-19)28-16-4-2-1-3-5-16/h1-9,11-13,17H,10,23H2,(H,24,25,26,27)
InChIKeyQQLNVFCIFNEIPV-UHFFFAOYSA-N
XLogP4.85
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-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

Related Compounds

CID 9925060
CID 9925060
CID 9968856
CID 9968856
CID 49789957
CID 49789957
CID 118733468
CID 118733468
CID 44565580
CID 44565580
CID 45483614
CID 45483614
CID 45483615
CID 45483615
CID 46943514
CID 46943514
CID 46943535
CID 46943535
CID 46943742
CID 46943742
CID 46948037
CID 46948037
CID 49786402
CID 49786402

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine (CID 46948292) is 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine is NC(Cc1ccc(F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1.
What is the InChIKey of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is QQLNVFCIFNEIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5OS/c22-15-8-6-14(7-9-15)10-17(23)18-12-29-21(26-18)27-19-11-20(25-13-24-19)28-16-4-2-1-3-5-16/h1-9,11-13,17H,10,23H2,(H,24,25,26,27).
What are the key properties of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine?
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 407.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46948292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).