5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide

C16H19N5O3S — CID 46353960

IUPAC5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESO=C(NCCN1CCOCC1)c1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H19N5O3S/c22-13(17-6-7-21-8-10-24-11-9-21)15-19-20-16(25-15)14(23)18-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,22)(H,18,23)
InChIKeyNEJWFYYGZKKZQI-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.85
Rot. Bonds6

About 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide

5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide (PubChem CID 46353960) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
PubChem CID46353960
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESO=C(NCCN1CCOCC1)c1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H19N5O3S/c22-13(17-6-7-21-8-10-24-11-9-21)15-19-20-16(25-15)14(23)18-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,22)(H,18,23)
InChIKeyNEJWFYYGZKKZQI-UHFFFAOYSA-N
XLogP0.85
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[3-(4-benzylpiperazin-1-yl)propyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353979
5-[[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46319982
5-N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353919
2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353949
N-(4-fluorophenyl)-5-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330796
6-N-(3-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096463
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
N-(4-fluorophenyl)-5-[(3S)-3-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890470
2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46354001
N-[3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46329931
3-(2-anilino-2-oxoethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 39036188
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The IUPAC name of 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide (CID 46353960) is 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The canonical SMILES for 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide is O=C(NCCN1CCOCC1)c1nnc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
The InChIKey is NEJWFYYGZKKZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c22-13(17-6-7-21-8-10-24-11-9-21)15-19-20-16(25-15)14(23)18-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,22)(H,18,23).
What are the key properties of 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide?
5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide has a molecular weight of 361.43 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide is sourced from PubChem (CID 46353960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).