1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C15H15FN4OS — CID 126795723

IUPAC1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2csc(-c3ccccc3F)n2)no1
InChIInChI=1S/C15H15FN4OS/c1-10-17-14(19-21-10)8-20(2)7-11-9-22-15(18-11)12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3
InChIKeyYTHNZUNOXRCTNQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.27
Rot. Bonds5

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

1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 126795723) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID126795723
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2csc(-c3ccccc3F)n2)no1
InChIInChI=1S/C15H15FN4OS/c1-10-17-14(19-21-10)8-20(2)7-11-9-22-15(18-11)12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3
InChIKeyYTHNZUNOXRCTNQ-UHFFFAOYSA-N
XLogP3.27
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 126795723) is 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CN(C)Cc2csc(-c3ccccc3F)n2)no1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is YTHNZUNOXRCTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-10-17-14(19-21-10)8-20(2)7-11-9-22-15(18-11)12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 318.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 126795723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).