2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine

C6H7F3N2S — CID 83108847

IUPAC2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine
SMILESNc1csc(CCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)2-1-5-11-4(10)3-12-5/h3H,1-2,10H2
InChIKeyALNMWDYOZVONQN-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.22
Rot. Bonds2

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

2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine (PubChem CID 83108847) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine
PubChem CID83108847
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine
SMILESNc1csc(CCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)2-1-5-11-4(10)3-12-5/h3H,1-2,10H2
InChIKeyALNMWDYOZVONQN-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine (CID 83108847) is 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine is Nc1csc(CCC(F)(F)F)n1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine?
The InChIKey is ALNMWDYOZVONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)2-1-5-11-4(10)3-12-5/h3H,1-2,10H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine?
2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine has a molecular weight of 196.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 83108847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).