5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C11H18F3N3O2S2 — CID 103360700

IUPAC5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3N3O2S2/c1-4-5-21(18,19)8-9(15)16-20-10(8)17(7(2)3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H2,15,16)
InChIKeyUQGCREWCVGSEJP-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.69
Rot. Bonds6

About 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360700) has the molecular formula C11H18F3N3O2S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360700
Molecular FormulaC11H18F3N3O2S2
Molecular Weight345.41 g/mol
Exact Mass345.08
IUPAC Name5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3N3O2S2/c1-4-5-21(18,19)8-9(15)16-20-10(8)17(7(2)3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H2,15,16)
InChIKeyUQGCREWCVGSEJP-UHFFFAOYSA-N
XLogP2.69
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360700) is 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is UQGCREWCVGSEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S2/c1-4-5-21(18,19)8-9(15)16-20-10(8)17(7(2)3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 345.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).