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

C6H7F3N2S — CID 63226788

IUPACN-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCNc1nccs1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)1-2-10-5-11-3-4-12-5/h3-4H,1-2H2,(H,10,11)
InChIKeyBSVPNMYWMAEFPW-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.51
Rot. Bonds3

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

N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (PubChem CID 63226788) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
PubChem CID63226788
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC NameN-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCNc1nccs1
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)1-2-10-5-11-3-4-12-5/h3-4H,1-2H2,(H,10,11)
InChIKeyBSVPNMYWMAEFPW-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (CID 63226788) is N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is FC(F)(F)CCNc1nccs1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The InChIKey is BSVPNMYWMAEFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)1-2-10-5-11-3-4-12-5/h3-4H,1-2H2,(H,10,11).
What are the key properties of N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine has a molecular weight of 196.20 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63226788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).