5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C16H19F4N3S — CID 130211587

IUPAC5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCN(Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C16H19F4N3S/c1-4-23(9(2)3)8-13-14(22-15(21)24-13)10-5-11(16(18,19)20)7-12(17)6-10/h5-7,9H,4,8H2,1-3H3,(H2,21,22)
InChIKeyRRNRIPSRPJKZIO-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.78
Rot. Bonds5

About 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 130211587) has the molecular formula C16H19F4N3S and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID130211587
Molecular FormulaC16H19F4N3S
Molecular Weight361.41 g/mol
Exact Mass361.12
IUPAC Name5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCN(Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C16H19F4N3S/c1-4-23(9(2)3)8-13-14(22-15(21)24-13)10-5-11(16(18,19)20)7-12(17)6-10/h5-7,9H,4,8H2,1-3H3,(H2,21,22)
InChIKeyRRNRIPSRPJKZIO-UHFFFAOYSA-N
XLogP4.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 130211587) is 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCN(Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is RRNRIPSRPJKZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N3S/c1-4-23(9(2)3)8-13-14(22-15(21)24-13)10-5-11(16(18,19)20)7-12(17)6-10/h5-7,9H,4,8H2,1-3H3,(H2,21,22).
What are the key properties of 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 361.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130211587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).