N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C8H9F3N2S — CID 174942870

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)C(Nc1nccs1)C1CC1
InChIInChI=1S/C8H9F3N2S/c9-8(10,11)6(5-1-2-5)13-7-12-3-4-14-7/h3-6H,1-2H2,(H,12,13)
InChIKeyNLVFSJARGIJAPN-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.90
Rot. Bonds3

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

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 174942870) has the molecular formula C8H9F3N2S and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID174942870
Molecular FormulaC8H9F3N2S
Molecular Weight222.24 g/mol
Exact Mass222.04
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)C(Nc1nccs1)C1CC1
InChIInChI=1S/C8H9F3N2S/c9-8(10,11)6(5-1-2-5)13-7-12-3-4-14-7/h3-6H,1-2H2,(H,12,13)
InChIKeyNLVFSJARGIJAPN-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 174942870) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is FC(F)(F)C(Nc1nccs1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is NLVFSJARGIJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S/c9-8(10,11)6(5-1-2-5)13-7-12-3-4-14-7/h3-6H,1-2H2,(H,12,13).
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 222.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 174942870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).