4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

C9H12F3N3O2S2 — CID 103349140

IUPAC4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC(F)(F)F)c1S(=O)(=O)C1CC1
InChIInChI=1S/C9H12F3N3O2S2/c10-9(11,12)3-4-14-8-6(7(13)15-18-8)19(16,17)5-1-2-5/h5,14H,1-4H2,(H2,13,15)
InChIKeyVIYGQXBIHBTWNP-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.03
Rot. Bonds5

About 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349140) has the molecular formula C9H12F3N3O2S2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103349140
Molecular FormulaC9H12F3N3O2S2
Molecular Weight315.34 g/mol
Exact Mass315.03
IUPAC Name4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC(F)(F)F)c1S(=O)(=O)C1CC1
InChIInChI=1S/C9H12F3N3O2S2/c10-9(11,12)3-4-14-8-6(7(13)15-18-8)19(16,17)5-1-2-5/h5,14H,1-4H2,(H2,13,15)
InChIKeyVIYGQXBIHBTWNP-UHFFFAOYSA-N
XLogP2.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-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-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103349140) is 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCCC(F)(F)F)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is VIYGQXBIHBTWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S2/c10-9(11,12)3-4-14-8-6(7(13)15-18-8)19(16,17)5-1-2-5/h5,14H,1-4H2,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 315.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).