1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C15H19FN2S — CID 50984977

IUPAC1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C15H19FN2S/c1-11(2)15-17-14(10-19-15)9-18(3)8-12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3
InChIKeyGFGLUGIVGOOUMW-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.04
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine

1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 50984977) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID50984977
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C15H19FN2S/c1-11(2)15-17-14(10-19-15)9-18(3)8-12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3
InChIKeyGFGLUGIVGOOUMW-UHFFFAOYSA-N
XLogP4.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 50984977) is 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine is CC(C)c1nc(CN(C)Cc2ccc(F)cc2)cs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is GFGLUGIVGOOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-11(2)15-17-14(10-19-15)9-18(3)8-12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 50984977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).