5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide

C16H20N4O2S — CID 71688703

IUPAC5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
SMILESCc1ccc(-c2snnc2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H20N4O2S/c1-12-2-4-13(5-3-12)15-14(18-19-23-15)16(21)17-6-7-20-8-10-22-11-9-20/h2-5H,6-11H2,1H3,(H,17,21)
InChIKeyWHZCSWOFSXETOW-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.58
Rot. Bonds5

About 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide

5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide (PubChem CID 71688703) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
PubChem CID71688703
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
SMILESCc1ccc(-c2snnc2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H20N4O2S/c1-12-2-4-13(5-3-12)15-14(18-19-23-15)16(21)17-6-7-20-8-10-22-11-9-20/h2-5H,6-11H2,1H3,(H,17,21)
InChIKeyWHZCSWOFSXETOW-UHFFFAOYSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide
CID 71688702
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide
CID 7576732
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507
4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 6402552
2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836502

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide (CID 71688703) is 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide is Cc1ccc(-c2snnc2C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide?
The InChIKey is WHZCSWOFSXETOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-2-4-13(5-3-12)15-14(18-19-23-15)16(21)17-6-7-20-8-10-22-11-9-20/h2-5H,6-11H2,1H3,(H,17,21).
What are the key properties of 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide?
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 71688703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).