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

C14H17F3N2OS — CID 62524656

IUPAC4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccc(OC(F)(F)F)cc2)=N1
InChIInChI=1S/C14H17F3N2OS/c1-3-13(4-2)9-21-12(19-13)18-10-5-7-11(8-6-10)20-14(15,16)17/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyLNHNAOFXDNYKKM-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.66
Rot. Bonds4

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

4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine (PubChem CID 62524656) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine
PubChem CID62524656
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccc(OC(F)(F)F)cc2)=N1
InChIInChI=1S/C14H17F3N2OS/c1-3-13(4-2)9-21-12(19-13)18-10-5-7-11(8-6-10)20-14(15,16)17/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyLNHNAOFXDNYKKM-UHFFFAOYSA-N
XLogP4.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine (CID 62524656) is 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2ccc(OC(F)(F)F)cc2)=N1.
What is the InChIKey of 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine?
The InChIKey is LNHNAOFXDNYKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c1-3-13(4-2)9-21-12(19-13)18-10-5-7-11(8-6-10)20-14(15,16)17/h5-8H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine?
4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine has a molecular weight of 318.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62524656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).