4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine

C8H11F3N2S — CID 65168270

IUPAC4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCC(F)(F)F)sc1C
InChIInChI=1S/C8H11F3N2S/c1-5-6(2)14-7(13-5)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyQHSZONDMMNCMJT-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.12
Rot. Bonds3

About 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (PubChem CID 65168270) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
PubChem CID65168270
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCC(F)(F)F)sc1C
InChIInChI=1S/C8H11F3N2S/c1-5-6(2)14-7(13-5)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyQHSZONDMMNCMJT-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (CID 65168270) is 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is Cc1nc(NCCC(F)(F)F)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The InChIKey is QHSZONDMMNCMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5-6(2)14-7(13-5)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine has a molecular weight of 224.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 65168270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).