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

C14H15FN4O2S — CID 119777330

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2F)s1)C1CNCCO1
InChIInChI=1S/C14H15FN4O2S/c15-10-4-2-1-3-9(10)7-12-18-19-14(22-12)17-13(20)11-8-16-5-6-21-11/h1-4,11,16H,5-8H2,(H,17,19,20)
InChIKeyRGABNHJQJHECQL-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.19
Rot. Bonds4

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

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide (PubChem CID 119777330) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide
PubChem CID119777330
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2F)s1)C1CNCCO1
InChIInChI=1S/C14H15FN4O2S/c15-10-4-2-1-3-9(10)7-12-18-19-14(22-12)17-13(20)11-8-16-5-6-21-11/h1-4,11,16H,5-8H2,(H,17,19,20)
InChIKeyRGABNHJQJHECQL-UHFFFAOYSA-N
XLogP1.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide (CID 119777330) is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide is O=C(Nc1nnc(Cc2ccccc2F)s1)C1CNCCO1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide?
The InChIKey is RGABNHJQJHECQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c15-10-4-2-1-3-9(10)7-12-18-19-14(22-12)17-13(20)11-8-16-5-6-21-11/h1-4,11,16H,5-8H2,(H,17,19,20).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide?
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 119777330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).