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

C15H14FN3OS — CID 103096818

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2csc(-c3ccc(F)cc3)n2)o1
InChIInChI=1S/C15H14FN3OS/c1-10-6-18-14(20-10)8-17-7-13-9-21-15(19-13)11-2-4-12(16)5-3-11/h2-6,9,17H,7-8H2,1H3
InChIKeyJRWCUBVCOXWHSV-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.54
Rot. Bonds5

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

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103096818) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103096818
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2csc(-c3ccc(F)cc3)n2)o1
InChIInChI=1S/C15H14FN3OS/c1-10-6-18-14(20-10)8-17-7-13-9-21-15(19-13)11-2-4-12(16)5-3-11/h2-6,9,17H,7-8H2,1H3
InChIKeyJRWCUBVCOXWHSV-UHFFFAOYSA-N
XLogP3.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103096818) is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2csc(-c3ccc(F)cc3)n2)o1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is JRWCUBVCOXWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-10-6-18-14(20-10)8-17-7-13-9-21-15(19-13)11-2-4-12(16)5-3-11/h2-6,9,17H,7-8H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 303.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103096818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).