N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide

C13H18N4O2S — CID 71789237

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H18N4O2S/c1-2-3-10-12(20-16-15-10)13(19)14-8-6-11(18)17(7-8)9-4-5-9/h8-9H,2-7H2,1H3,(H,14,19)
InChIKeyZQRCHTITKZYFGF-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.98
Rot. Bonds5

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide (PubChem CID 71789237) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide
PubChem CID71789237
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H18N4O2S/c1-2-3-10-12(20-16-15-10)13(19)14-8-6-11(18)17(7-8)9-4-5-9/h8-9H,2-7H2,1H3,(H,14,19)
InChIKeyZQRCHTITKZYFGF-UHFFFAOYSA-N
XLogP0.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 47168544
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide
CID 71858632
(1S*,6R*)-3-methyl-9-[(4-propyl-1,2,3-thiadiazol-5-yl)carbonyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91765091
N-[(7R,8aS)-2-methyl-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 118782544
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-4-propylthiadiazole-5-carboxamide
CID 125520907
4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide
CID 136587878
N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide
CID 114383499
3-[(4-Ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride
CID 166419816
N-cyclopropyl-2-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 16234624
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 45819335

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide (CID 71789237) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is ZQRCHTITKZYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-3-10-12(20-16-15-10)13(19)14-8-6-11(18)17(7-8)9-4-5-9/h8-9H,2-7H2,1H3,(H,14,19).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 71789237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).