2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C17H21N5O3S — CID 648805

IUPAC2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C17H21N5O3S/c1-3-14-20-21-16(26-14)19-15(23)12-8-6-10-22(12)17(24)18-11-7-4-5-9-13(11)25-2/h4-5,7,9,12H,3,6,8,10H2,1-2H3,(H,18,24)(H,19,21,23)
InChIKeyCTGYPLHQOQHZOE-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.74
Rot. Bonds5

About 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 648805) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID648805
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C17H21N5O3S/c1-3-14-20-21-16(26-14)19-15(23)12-8-6-10-22(12)17(24)18-11-7-4-5-9-13(11)25-2/h4-5,7,9,12H,3,6,8,10H2,1-2H3,(H,18,24)(H,19,21,23)
InChIKeyCTGYPLHQOQHZOE-UHFFFAOYSA-N
XLogP2.74
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 2-[(5-isopropyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 652135
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 660721
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 1452080
2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201162
1-[2-[[5-(2-Methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone
CID 2611539
N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5308275
N-[5-(2-Methylpiperidin-1-YL)-1,3,4-thiadiazol-2-YL]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 5308448
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-acetamide
CID 6603474
N-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 6620326
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 16192742
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 3253725
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 646185

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 648805) is 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is CCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2OC)s1.
What is the InChIKey of 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is CTGYPLHQOQHZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-3-14-20-21-16(26-14)19-15(23)12-8-6-10-22(12)17(24)18-11-7-4-5-9-13(11)25-2/h4-5,7,9,12H,3,6,8,10H2,1-2H3,(H,18,24)(H,19,21,23).
What are the key properties of 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 648805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).