N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C19H23N5O3S — CID 6625776

IUPACN-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN2c2nnc(N3CCCC3=O)s2)cc1
InChIInChI=1S/C19H23N5O3S/c1-2-27-14-9-7-13(8-10-14)20-17(26)15-5-3-11-23(15)18-21-22-19(28-18)24-12-4-6-16(24)25/h7-10,15H,2-6,11-12H2,1H3,(H,20,26)
InChIKeyOTCAXJDIKKKBBK-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.67
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 6625776) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID6625776
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN2c2nnc(N3CCCC3=O)s2)cc1
InChIInChI=1S/C19H23N5O3S/c1-2-27-14-9-7-13(8-10-14)20-17(26)15-5-3-11-23(15)18-21-22-19(28-18)24-12-4-6-16(24)25/h7-10,15H,2-6,11-12H2,1H3,(H,20,26)
InChIKeyOTCAXJDIKKKBBK-UHFFFAOYSA-N
XLogP2.67
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-(Prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4876409
1-(4-ethoxyphenyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide
CID 6494531
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-ethoxy-phenyl)-amide] 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 648153
1-(4-Ethoxyphenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 16016775
1-(4-Methoxyphenyl)-3-[5-(pyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]urea
CID 16016887
1-(4-methoxyphenyl)-5-oxo-N-(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 24892044
1-[5-({2-[4-(4-Methoxyphenyl)piperazin-1-YL]-2-oxoethyl}(methyl)amino)-1,3,4-thiadiazol-2-YL]pyrrolidin-2-one
CID 22513646
1-[5-[(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 92710727
(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736848
N-(4-methoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513372
1-(4-ethoxyphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4543134
N-(5-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pentanamide
CID 7311912

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 6625776) is N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is CCOc1ccc(NC(=O)C2CCCN2c2nnc(N3CCCC3=O)s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is OTCAXJDIKKKBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-2-27-14-9-7-13(8-10-14)20-17(26)15-5-3-11-23(15)18-21-22-19(28-18)24-12-4-6-16(24)25/h7-10,15H,2-6,11-12H2,1H3,(H,20,26).
What are the key properties of N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 6625776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).