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

C8H12F3N3S — CID 102768086

IUPAC2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESCC(C)N(CC(F)(F)F)c1ncc(N)s1
InChIInChI=1S/C8H12F3N3S/c1-5(2)14(4-8(9,10)11)7-13-3-6(12)15-7/h3,5H,4,12H2,1-2H3
InChIKeyZHMVGZCJUKRGHC-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.50
Rot. Bonds3

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

2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768086) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
PubChem CID102768086
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESCC(C)N(CC(F)(F)F)c1ncc(N)s1
InChIInChI=1S/C8H12F3N3S/c1-5(2)14(4-8(9,10)11)7-13-3-6(12)15-7/h3,5H,4,12H2,1-2H3
InChIKeyZHMVGZCJUKRGHC-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (CID 102768086) is 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is CC(C)N(CC(F)(F)F)c1ncc(N)s1.
What is the InChIKey of 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is ZHMVGZCJUKRGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-5(2)14(4-8(9,10)11)7-13-3-6(12)15-7/h3,5H,4,12H2,1-2H3.
What are the key properties of 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 239.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).