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

C14H15F2N3S — CID 103361017

IUPAC4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2cc(F)cc(F)c2)c1C1CC1
InChIInChI=1S/C14H15F2N3S/c15-10-5-8(6-11(16)7-10)3-4-18-14-12(9-1-2-9)13(17)19-20-14/h5-7,9,18H,1-4H2,(H2,17,19)
InChIKeyCBPBDMCPIWKQAE-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.54
Rot. Bonds5

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

4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361017) has the molecular formula C14H15F2N3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103361017
Molecular FormulaC14H15F2N3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2cc(F)cc(F)c2)c1C1CC1
InChIInChI=1S/C14H15F2N3S/c15-10-5-8(6-11(16)7-10)3-4-18-14-12(9-1-2-9)13(17)19-20-14/h5-7,9,18H,1-4H2,(H2,17,19)
InChIKeyCBPBDMCPIWKQAE-UHFFFAOYSA-N
XLogP3.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)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-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (CID 103361017) is 4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is Nc1nsc(NCCc2cc(F)cc(F)c2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is CBPBDMCPIWKQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3S/c15-10-5-8(6-11(16)7-10)3-4-18-14-12(9-1-2-9)13(17)19-20-14/h5-7,9,18H,1-4H2,(H2,17,19).
What are the key properties of 4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[2-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 295.36 g/mol, XLogP of 3.54, 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-(3,5-difluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).