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

C8H10F3N3O2S2 — CID 103349518

IUPAC4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC(F)(F)F)c1S(=O)(=O)C1CC1
InChIInChI=1S/C8H10F3N3O2S2/c9-8(10,11)3-13-7-5(6(12)14-17-7)18(15,16)4-1-2-4/h4,13H,1-3H2,(H2,12,14)
InChIKeyPWABTRQBAKYPEM-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.64
Rot. Bonds4

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

4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349518) has the molecular formula C8H10F3N3O2S2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103349518
Molecular FormulaC8H10F3N3O2S2
Molecular Weight301.32 g/mol
Exact Mass301.02
IUPAC Name4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC(F)(F)F)c1S(=O)(=O)C1CC1
InChIInChI=1S/C8H10F3N3O2S2/c9-8(10,11)3-13-7-5(6(12)14-17-7)18(15,16)4-1-2-4/h4,13H,1-3H2,(H2,12,14)
InChIKeyPWABTRQBAKYPEM-UHFFFAOYSA-N
XLogP1.64
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103349518) is 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCC(F)(F)F)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PWABTRQBAKYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S2/c9-8(10,11)3-13-7-5(6(12)14-17-7)18(15,16)4-1-2-4/h4,13H,1-3H2,(H2,12,14).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 301.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).