[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine

C13H15FN2S — CID 107932019

IUPAC[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2cc(C)ccc2F)sc1CN
InChIInChI=1S/C13H15FN2S/c1-3-11-12(7-15)17-13(16-11)9-6-8(2)4-5-10(9)14/h4-6H,3,7,15H2,1-2H3
InChIKeyPISHTLDUFCUHSI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.28
Rot. Bonds3

About [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine

[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107932019) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107932019
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2cc(C)ccc2F)sc1CN
InChIInChI=1S/C13H15FN2S/c1-3-11-12(7-15)17-13(16-11)9-6-8(2)4-5-10(9)14/h4-6H,3,7,15H2,1-2H3
InChIKeyPISHTLDUFCUHSI-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine (CID 107932019) is [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine is CCc1nc(-c2cc(C)ccc2F)sc1CN.
What is the InChIKey of [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is PISHTLDUFCUHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-11-12(7-15)17-13(16-11)9-6-8(2)4-5-10(9)14/h4-6H,3,7,15H2,1-2H3.
What are the key properties of [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107932019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).