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

C11H11F3N2OS — CID 3383664

IUPAC5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C11H11F3N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyLDIRFUBYADQAMJ-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.49
Rot. Bonds2

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

5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3383664) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3383664
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C11H11F3N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyLDIRFUBYADQAMJ-UHFFFAOYSA-N
XLogP3.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 3383664) is 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(Nc2ccc(OC(F)(F)F)cc2)S1.
What is the InChIKey of 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LDIRFUBYADQAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 276.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3383664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).