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

C6H7F3N2S — CID 84773872

IUPAC2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESCc1nc(CC(F)(F)F)c(N)s1
InChIInChI=1S/C6H7F3N2S/c1-3-11-4(5(10)12-3)2-6(7,8)9/h2,10H2,1H3
InChIKeyHKPSJBXQEIXDBE-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.14
Rot. Bonds1

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

2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (PubChem CID 84773872) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
PubChem CID84773872
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESCc1nc(CC(F)(F)F)c(N)s1
InChIInChI=1S/C6H7F3N2S/c1-3-11-4(5(10)12-3)2-6(7,8)9/h2,10H2,1H3
InChIKeyHKPSJBXQEIXDBE-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (CID 84773872) is 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is Cc1nc(CC(F)(F)F)c(N)s1.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The InChIKey is HKPSJBXQEIXDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3-11-4(5(10)12-3)2-6(7,8)9/h2,10H2,1H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine has a molecular weight of 196.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 84773872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).