N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

C18H18F2N4O3S — CID 91955958

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CCC(=O)N1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18F2N4O3S/c19-17(20)27-12-5-1-10(2-6-12)9-24-13(7-8-14(24)25)15(26)21-18-23-22-16(28-18)11-3-4-11/h1-2,5-6,11,13,17H,3-4,7-9H2,(H,21,23,26)
InChIKeyAHWIPCVUFZDBCK-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.15
Rot. Bonds7

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955958) has the molecular formula C18H18F2N4O3S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID91955958
Molecular FormulaC18H18F2N4O3S
Molecular Weight408.43 g/mol
Exact Mass408.11
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CCC(=O)N1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18F2N4O3S/c19-17(20)27-12-5-1-10(2-6-12)9-24-13(7-8-14(24)25)15(26)21-18-23-22-16(28-18)11-3-4-11/h1-2,5-6,11,13,17H,3-4,7-9H2,(H,21,23,26)
InChIKeyAHWIPCVUFZDBCK-UHFFFAOYSA-N
XLogP3.15
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 91955958) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is O=C(Nc1nnc(C2CC2)s1)C1CCC(=O)N1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AHWIPCVUFZDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3S/c19-17(20)27-12-5-1-10(2-6-12)9-24-13(7-8-14(24)25)15(26)21-18-23-22-16(28-18)11-3-4-11/h1-2,5-6,11,13,17H,3-4,7-9H2,(H,21,23,26).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[4-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).