4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide

C15H17FN4O2S — CID 133452877

IUPAC4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2nnc(Cc3ccccc3F)s2)CCO1
InChIInChI=1S/C15H17FN4O2S/c1-17-14(21)12-9-20(6-7-22-12)15-19-18-13(23-15)8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H,17,21)
InChIKeyZENXTANODAXHBK-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.22
Rot. Bonds4

About 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide

4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide (PubChem CID 133452877) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide
PubChem CID133452877
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2nnc(Cc3ccccc3F)s2)CCO1
InChIInChI=1S/C15H17FN4O2S/c1-17-14(21)12-9-20(6-7-22-12)15-19-18-13(23-15)8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H,17,21)
InChIKeyZENXTANODAXHBK-UHFFFAOYSA-N
XLogP1.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide (CID 133452877) is 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(c2nnc(Cc3ccccc3F)s2)CCO1.
What is the InChIKey of 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide?
The InChIKey is ZENXTANODAXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-17-14(21)12-9-20(6-7-22-12)15-19-18-13(23-15)8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H,17,21).
What are the key properties of 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide?
4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 133452877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).