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

C18H23N5O3S — CID 648153

IUPAC1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C18H23N5O3S/c1-3-15-21-22-17(27-15)20-16(24)13-9-7-11-23(13)18(25)19-12-8-5-6-10-14(12)26-4-2/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3,(H,19,25)(H,20,22,24)
InChIKeyRQCHPURTNSUTLY-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.13
Rot. Bonds6

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

1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 648153) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID648153
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C18H23N5O3S/c1-3-15-21-22-17(27-15)20-16(24)13-9-7-11-23(13)18(25)19-12-8-5-6-10-14(12)26-4-2/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3,(H,19,25)(H,20,22,24)
InChIKeyRQCHPURTNSUTLY-UHFFFAOYSA-N
XLogP3.13
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Ethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 6494528
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 648805
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-isopropyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 652135
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(2-ethoxyphenyl)butanediamide
CID 1394537
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-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6494533
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-acetamide
CID 6603474
N-cyclopropyl-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 16277998
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
Pentanoic acid (5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-amide
CID 646971

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 648153) is 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1.
What is the InChIKey of 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is RQCHPURTNSUTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-3-15-21-22-17(27-15)20-16(24)13-9-7-11-23(13)18(25)19-12-8-5-6-10-14(12)26-4-2/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3,(H,19,25)(H,20,22,24).
What are the key properties of 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 389.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyphenyl)-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 648153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).