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

C15H18FN3S — CID 103364521

IUPAC4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1cc(F)ccc1CCNc1snc(N)c1C1CC1
InChIInChI=1S/C15H18FN3S/c1-9-8-12(16)5-4-10(9)6-7-18-15-13(11-2-3-11)14(17)19-20-15/h4-5,8,11,18H,2-3,6-7H2,1H3,(H2,17,19)
InChIKeyLSKFMVWZSDUARR-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.70
Rot. Bonds5

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

4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364521) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103364521
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1cc(F)ccc1CCNc1snc(N)c1C1CC1
InChIInChI=1S/C15H18FN3S/c1-9-8-12(16)5-4-10(9)6-7-18-15-13(11-2-3-11)14(17)19-20-15/h4-5,8,11,18H,2-3,6-7H2,1H3,(H2,17,19)
InChIKeyLSKFMVWZSDUARR-UHFFFAOYSA-N
XLogP3.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)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-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine (CID 103364521) is 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine is Cc1cc(F)ccc1CCNc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is LSKFMVWZSDUARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-9-8-12(16)5-4-10(9)6-7-18-15-13(11-2-3-11)14(17)19-20-15/h4-5,8,11,18H,2-3,6-7H2,1H3,(H2,17,19).
What are the key properties of 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 291.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).