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

C11H18F3N3OS — CID 103360698

IUPAC5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3N3OS/c1-6(2)17(5-11(12,13)14)10-8(18-7(3)4)9(15)16-19-10/h6-7H,5H2,1-4H3,(H2,15,16)
InChIKeyCPGPKOLZJJGYKF-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.29
Rot. Bonds5

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

5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360698) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360698
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC Name5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3N3OS/c1-6(2)17(5-11(12,13)14)10-8(18-7(3)4)9(15)16-19-10/h6-7H,5H2,1-4H3,(H2,15,16)
InChIKeyCPGPKOLZJJGYKF-UHFFFAOYSA-N
XLogP3.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360698) is 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is CPGPKOLZJJGYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c1-6(2)17(5-11(12,13)14)10-8(18-7(3)4)9(15)16-19-10/h6-7H,5H2,1-4H3,(H2,15,16).
What are the key properties of 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 297.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).