4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine

C10H14F3N3O2S2 — CID 106218886

IUPAC4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3O2S2/c1-2-5-20(17,18)6-7(14)16-19-8(6)15-9(3-4-9)10(11,12)13/h15H,2-5H2,1H3,(H2,14,16)
InChIKeyZWSIBTZGAMQWKO-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.42
Rot. Bonds5

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

4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine (PubChem CID 106218886) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine
PubChem CID106218886
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC Name4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3O2S2/c1-2-5-20(17,18)6-7(14)16-19-8(6)15-9(3-4-9)10(11,12)13/h15H,2-5H2,1H3,(H2,14,16)
InChIKeyZWSIBTZGAMQWKO-UHFFFAOYSA-N
XLogP2.42
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine (CID 106218886) is 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine?
The InChIKey is ZWSIBTZGAMQWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c1-2-5-20(17,18)6-7(14)16-19-8(6)15-9(3-4-9)10(11,12)13/h15H,2-5H2,1H3,(H2,14,16).
What are the key properties of 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine?
4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine has a molecular weight of 329.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106218886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).