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

C14H16FN3S — CID 103360063

IUPAC4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(Nc1snc(N)c1C1CC1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3S/c1-8(9-4-6-11(15)7-5-9)17-14-12(10-2-3-10)13(16)18-19-14/h4-8,10,17H,2-3H2,1H3,(H2,16,18)
InChIKeyHFRDVNCZFMLDFI-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.91
Rot. Bonds4

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

4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103360063) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103360063
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(Nc1snc(N)c1C1CC1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3S/c1-8(9-4-6-11(15)7-5-9)17-14-12(10-2-3-10)13(16)18-19-14/h4-8,10,17H,2-3H2,1H3,(H2,16,18)
InChIKeyHFRDVNCZFMLDFI-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-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 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (CID 103360063) is 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is CC(Nc1snc(N)c1C1CC1)c1ccc(F)cc1.
What is the InChIKey of 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is HFRDVNCZFMLDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-8(9-4-6-11(15)7-5-9)17-14-12(10-2-3-10)13(16)18-19-14/h4-8,10,17H,2-3H2,1H3,(H2,16,18).
What are the key properties of 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).