1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C16H15BrN4O2S — CID 42953075

IUPAC1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C16H15BrN4O2S/c17-11-3-1-2-4-12(11)21-8-10(7-13(21)22)14(23)18-16-20-19-15(24-16)9-5-6-9/h1-4,9-10H,5-8H2,(H,18,20,23)
InChIKeyBZEHRACWXNRZFJ-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.17
Rot. Bonds4

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

1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42953075) has the molecular formula C16H15BrN4O2S and a molecular weight of 407.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42953075
Molecular FormulaC16H15BrN4O2S
Molecular Weight407.29 g/mol
Exact Mass406.01
IUPAC Name1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C16H15BrN4O2S/c17-11-3-1-2-4-12(11)21-8-10(7-13(21)22)14(23)18-16-20-19-15(24-16)9-5-6-9/h1-4,9-10H,5-8H2,(H,18,20,23)
InChIKeyBZEHRACWXNRZFJ-UHFFFAOYSA-N
XLogP3.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 52996304
(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7873603
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55576055
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586390
1-(2-bromophenyl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46587243
(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754422
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9389767
1-(4-ethoxyphenyl)-N-[5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17204339
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 17203638
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 42953075) is 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nnc(C2CC2)s1)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BZEHRACWXNRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2S/c17-11-3-1-2-4-12(11)21-8-10(7-13(21)22)14(23)18-16-20-19-15(24-16)9-5-6-9/h1-4,9-10H,5-8H2,(H,18,20,23).
What are the key properties of 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42953075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).