5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine

C7H6F6N2S — CID 130154004

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6N2S/c1-2-3(16-5(14)15-2)4(6(8,9)10)7(11,12)13/h4H,1H3,(H2,14,15)
InChIKeyDJXCKBQATLTPSO-UHFFFAOYSA-N
MW264.19 g/mol
LogP3.24
Rot. Bonds1

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 130154004) has the molecular formula C7H6F6N2S and a molecular weight of 264.19 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID130154004
Molecular FormulaC7H6F6N2S
Molecular Weight264.19 g/mol
Exact Mass264.02
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6N2S/c1-2-3(16-5(14)15-2)4(6(8,9)10)7(11,12)13/h4H,1H3,(H2,14,15)
InChIKeyDJXCKBQATLTPSO-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine (CID 130154004) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is DJXCKBQATLTPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N2S/c1-2-3(16-5(14)15-2)4(6(8,9)10)7(11,12)13/h4H,1H3,(H2,14,15).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 264.19 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130154004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).