1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine

C14H15F3N2S — CID 63077170

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
SMILESCCc1nc(C(NC)c2cc(F)c(F)c(F)c2)sc1C
InChIInChI=1S/C14H15F3N2S/c1-4-11-7(2)20-14(19-11)13(18-3)8-5-9(15)12(17)10(16)6-8/h5-6,13,18H,4H2,1-3H3
InChIKeyMDRHQKVQYWYDIP-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.74
Rot. Bonds4

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (PubChem CID 63077170) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
PubChem CID63077170
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
SMILESCCc1nc(C(NC)c2cc(F)c(F)c(F)c2)sc1C
InChIInChI=1S/C14H15F3N2S/c1-4-11-7(2)20-14(19-11)13(18-3)8-5-9(15)12(17)10(16)6-8/h5-6,13,18H,4H2,1-3H3
InChIKeyMDRHQKVQYWYDIP-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (CID 63077170) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine is CCc1nc(C(NC)c2cc(F)c(F)c(F)c2)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is MDRHQKVQYWYDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-4-11-7(2)20-14(19-11)13(18-3)8-5-9(15)12(17)10(16)6-8/h5-6,13,18H,4H2,1-3H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 300.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 63077170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).