1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C17H19FN4O2S — CID 45492097

IUPAC1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)s1
InChIInChI=1S/C17H19FN4O2S/c1-10(2)7-14-20-21-17(25-14)19-16(24)11-8-15(23)22(9-11)13-6-4-3-5-12(13)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21,24)
InChIKeyXHUXDMNUNLPRQJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 45492097) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID45492097
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)s1
InChIInChI=1S/C17H19FN4O2S/c1-10(2)7-14-20-21-17(25-14)19-16(24)11-8-15(23)22(9-11)13-6-4-3-5-12(13)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21,24)
InChIKeyXHUXDMNUNLPRQJ-UHFFFAOYSA-N
XLogP2.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 45492097) is 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CC(C)Cc1nnc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)s1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XHUXDMNUNLPRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-10(2)7-14-20-21-17(25-14)19-16(24)11-8-15(23)22(9-11)13-6-4-3-5-12(13)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21,24).
What are the key properties of 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 45492097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).