N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

C18H18N4O4S — CID 3392370

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C18H18N4O4S/c23-15-7-11(16(24)19-18-21-20-17(27-18)10-1-2-10)9-22(15)12-3-4-13-14(8-12)26-6-5-25-13/h3-4,8,10-11H,1-2,5-7,9H2,(H,19,21,24)
InChIKeySQDCKOMKGRKKFQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.18
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3392370) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3392370
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C18H18N4O4S/c23-15-7-11(16(24)19-18-21-20-17(27-18)10-1-2-10)9-22(15)12-3-4-13-14(8-12)26-6-5-25-13/h3-4,8,10-11H,1-2,5-7,9H2,(H,19,21,24)
InChIKeySQDCKOMKGRKKFQ-UHFFFAOYSA-N
XLogP2.18
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 3392370) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nnc(C2CC2)s1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SQDCKOMKGRKKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-15-7-11(16(24)19-18-21-20-17(27-18)10-1-2-10)9-22(15)12-3-4-13-14(8-12)26-6-5-25-13/h3-4,8,10-11H,1-2,5-7,9H2,(H,19,21,24).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3392370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).