5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine

C12H14FN3S — CID 103360062

IUPAC5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C12H14FN3S/c1-7-11(14)16-17-12(7)15-8(2)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3,(H2,14,16)
InChIKeyZBIVHVPVQJFUAH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.35
Rot. Bonds3

About 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine

5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103360062) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103360062
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C12H14FN3S/c1-7-11(14)16-17-12(7)15-8(2)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3,(H2,14,16)
InChIKeyZBIVHVPVQJFUAH-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine 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 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine (CID 103360062) is 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC(C)c1ccc(F)cc1.
What is the InChIKey of 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZBIVHVPVQJFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-7-11(14)16-17-12(7)15-8(2)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3,(H2,14,16).
What are the key properties of 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 251.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).