N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide

C13H10ClFN4O2S — CID 97329654

IUPACN-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cnns1
InChIInChI=1S/C13H10ClFN4O2S/c14-8-2-1-7(5-9(8)15)19-4-3-10(13(19)21)17-12(20)11-6-16-18-22-11/h1-2,5-6,10H,3-4H2,(H,17,20)/t10-/m1/s1
InChIKeyONXFHHBQJJLUTP-SNVBAGLBSA-N
MW340.77 g/mol
LogP1.87
Rot. Bonds3

About N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide

N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 97329654) has the molecular formula C13H10ClFN4O2S and a molecular weight of 340.77 g/mol. Its IUPAC name is N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide
PubChem CID97329654
Molecular FormulaC13H10ClFN4O2S
Molecular Weight340.77 g/mol
Exact Mass340.02
IUPAC NameN-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cnns1
InChIInChI=1S/C13H10ClFN4O2S/c14-8-2-1-7(5-9(8)15)19-4-3-10(13(19)21)17-12(20)11-6-16-18-22-11/h1-2,5-6,10H,3-4H2,(H,17,20)/t10-/m1/s1
InChIKeyONXFHHBQJJLUTP-SNVBAGLBSA-N
XLogP1.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97329341
N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75395006
2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551490
2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120993763
N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97340463
3-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-1-(2,2-difluoroethyl)-1-methylurea
CID 75436656
1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
CID 75441668
N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 75448375
N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563907
5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119137618
1-(4-chloro-3-fluorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)pyrrolidin-2-one
CID 102554153
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133462212

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide (CID 97329654) is N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide is O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cnns1.
What is the InChIKey of N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is ONXFHHBQJJLUTP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H10ClFN4O2S/c14-8-2-1-7(5-9(8)15)19-4-3-10(13(19)21)17-12(20)11-6-16-18-22-11/h1-2,5-6,10H,3-4H2,(H,17,20)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide?
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 97329654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).