N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide

C13H20N4OS — CID 71858632

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C13H20N4OS/c1-3-11-12(19-16-15-11)13(18)14-9-6-8(2)17(7-9)10-4-5-10/h8-10H,3-7H2,1-2H3,(H,14,18)
InChIKeyCXVINPVJJRGTRI-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.46
Rot. Bonds4

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 71858632) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide
PubChem CID71858632
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C13H20N4OS/c1-3-11-12(19-16-15-11)13(18)14-9-6-8(2)17(7-9)10-4-5-10/h8-10H,3-7H2,1-2H3,(H,14,18)
InChIKeyCXVINPVJJRGTRI-UHFFFAOYSA-N
XLogP1.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide (CID 71858632) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1CC(C)N(C2CC2)C1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is CXVINPVJJRGTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-11-12(19-16-15-11)13(18)14-9-6-8(2)17(7-9)10-4-5-10/h8-10H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 71858632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).