4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C6H7F3N2S — CID 29268625

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1csc(NCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2S/c1-4-2-12-5(11-4)10-3-6(7,8)9/h2H,3H2,1H3,(H,10,11)
InChIKeyYMUOHJORSZWWJM-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.43
Rot. Bonds2

About 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 29268625) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID29268625
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1csc(NCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2S/c1-4-2-12-5(11-4)10-3-6(7,8)9/h2H,3H2,1H3,(H,10,11)
InChIKeyYMUOHJORSZWWJM-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 29268625) is 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is Cc1csc(NCC(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is YMUOHJORSZWWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-4-2-12-5(11-4)10-3-6(7,8)9/h2H,3H2,1H3,(H,10,11).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 196.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 29268625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).