N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H18N4O2S — CID 1397993

IUPACN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C15H18N4O2S/c20-14(12-4-2-1-3-5-12)16-15-18-17-13(22-15)6-7-19-8-10-21-11-9-19/h1-5H,6-11H2,(H,16,18,20)
InChIKeyHPMPVSPTMDUBOZ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.67
Rot. Bonds5

About N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1397993) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1397993
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C15H18N4O2S/c20-14(12-4-2-1-3-5-12)16-15-18-17-13(22-15)6-7-19-8-10-21-11-9-19/h1-5H,6-11H2,(H,16,18,20)
InChIKeyHPMPVSPTMDUBOZ-UHFFFAOYSA-N
XLogP1.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1397993) is N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccccc1.
What is the InChIKey of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is HPMPVSPTMDUBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-14(12-4-2-1-3-5-12)16-15-18-17-13(22-15)6-7-19-8-10-21-11-9-19/h1-5H,6-11H2,(H,16,18,20).
What are the key properties of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1397993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).