[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine

C17H15FN2S — CID 61339245

IUPAC[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine
SMILESCc1sc(C(N)c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2S/c1-11-16(13-7-9-14(18)10-8-13)20-17(21-11)15(19)12-5-3-2-4-6-12/h2-10,15H,19H2,1H3
InChIKeyWWBKXVOEYVKMTI-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.31
Rot. Bonds3

About [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine

[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine (PubChem CID 61339245) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine
PubChem CID61339245
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine
SMILESCc1sc(C(N)c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2S/c1-11-16(13-7-9-14(18)10-8-13)20-17(21-11)15(19)12-5-3-2-4-6-12/h2-10,15H,19H2,1H3
InChIKeyWWBKXVOEYVKMTI-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine?
The IUPAC name of [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine (CID 61339245) is [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine.
What is the SMILES notation for [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine?
The canonical SMILES for [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine is Cc1sc(C(N)c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine?
The InChIKey is WWBKXVOEYVKMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-11-16(13-7-9-14(18)10-8-13)20-17(21-11)15(19)12-5-3-2-4-6-12/h2-10,15H,19H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine?
[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine has a molecular weight of 298.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine is sourced from PubChem (CID 61339245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).