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

C16H17FN4OS — CID 91831880

IUPACN-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H17FN4OS/c1-11-14(23-10-18-11)6-7-21(2)9-15-19-20-16(22-15)12-4-3-5-13(17)8-12/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyFWMFYDWSGCYJQS-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.32
Rot. Bonds6

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

N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 91831880) has the molecular formula C16H17FN4OS and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID91831880
Molecular FormulaC16H17FN4OS
Molecular Weight332.40 g/mol
Exact Mass332.11
IUPAC NameN-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H17FN4OS/c1-11-14(23-10-18-11)6-7-21(2)9-15-19-20-16(22-15)12-4-3-5-13(17)8-12/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyFWMFYDWSGCYJQS-UHFFFAOYSA-N
XLogP3.32
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 91831880) is N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1CCN(C)Cc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FWMFYDWSGCYJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4OS/c1-11-14(23-10-18-11)6-7-21(2)9-15-19-20-16(22-15)12-4-3-5-13(17)8-12/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 332.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 91831880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).