5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide

C13H17N7O2S — CID 155498369

IUPAC5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCc1nnc(N2CC(C(=O)NCc3ncn[nH]3)CC2=O)s1
InChIInChI=1S/C13H17N7O2S/c1-2-3-10-18-19-13(23-10)20-6-8(4-11(20)21)12(22)14-5-9-15-7-16-17-9/h7-8H,2-6H2,1H3,(H,14,22)(H,15,16,17)
InChIKeyDWVOCAXMZBCKHV-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.28
Rot. Bonds6

About 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 155498369) has the molecular formula C13H17N7O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID155498369
Molecular FormulaC13H17N7O2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC Name5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCc1nnc(N2CC(C(=O)NCc3ncn[nH]3)CC2=O)s1
InChIInChI=1S/C13H17N7O2S/c1-2-3-10-18-19-13(23-10)20-6-8(4-11(20)21)12(22)14-5-9-15-7-16-17-9/h7-8H,2-6H2,1H3,(H,14,22)(H,15,16,17)
InChIKeyDWVOCAXMZBCKHV-UHFFFAOYSA-N
XLogP0.28
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155501749
formic acid;5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155939162
formic acid;N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155940112
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154823517
formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155939262
N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155495295
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154819627
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155495117
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155493660
N-[(3-chloro-2-methylphenyl)methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508536
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155497205

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 155498369) is 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide is CCCc1nnc(N2CC(C(=O)NCc3ncn[nH]3)CC2=O)s1.
What is the InChIKey of 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is DWVOCAXMZBCKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2S/c1-2-3-10-18-19-13(23-10)20-6-8(4-11(20)21)12(22)14-5-9-15-7-16-17-9/h7-8H,2-6H2,1H3,(H,14,22)(H,15,16,17).
What are the key properties of 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155498369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).