4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C9H12F3N3S — CID 103360597

IUPAC4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)(F)F)c1snc(N)c1C1CC1
InChIInChI=1S/C9H12F3N3S/c1-15(4-9(10,11)12)8-6(5-2-3-5)7(13)14-16-8/h5H,2-4H2,1H3,(H2,13,14)
InChIKeyBUZUWFVQYGSLOM-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.60
Rot. Bonds3

About 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360597) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360597
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)(F)F)c1snc(N)c1C1CC1
InChIInChI=1S/C9H12F3N3S/c1-15(4-9(10,11)12)8-6(5-2-3-5)7(13)14-16-8/h5H,2-4H2,1H3,(H2,13,14)
InChIKeyBUZUWFVQYGSLOM-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-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-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360597) is 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CN(CC(F)(F)F)c1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BUZUWFVQYGSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-15(4-9(10,11)12)8-6(5-2-3-5)7(13)14-16-8/h5H,2-4H2,1H3,(H2,13,14).
What are the key properties of 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 251.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).