5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H13F3N2OS — CID 63296751

IUPAC5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1cccc(NC2=NCC(C3CC3)S2)c1
InChIInChI=1S/C13H13F3N2OS/c14-13(15,16)19-10-3-1-2-9(6-10)18-12-17-7-11(20-12)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,17,18)
InChIKeyGVZJJQVQMTUAGT-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.88
Rot. Bonds3

About 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296751) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296751
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1cccc(NC2=NCC(C3CC3)S2)c1
InChIInChI=1S/C13H13F3N2OS/c14-13(15,16)19-10-3-1-2-9(6-10)18-12-17-7-11(20-12)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,17,18)
InChIKeyGVZJJQVQMTUAGT-UHFFFAOYSA-N
XLogP3.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63296751) is 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)Oc1cccc(NC2=NCC(C3CC3)S2)c1.
What is the InChIKey of 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GVZJJQVQMTUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c14-13(15,16)19-10-3-1-2-9(6-10)18-12-17-7-11(20-12)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,17,18).
What are the key properties of 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 302.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).