(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one

C13H13ClN4OS — CID 51604297

IUPAC(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one
SMILESCc1c(Cl)cccc1N1C[C@@H](c2nnc(N)s2)CC1=O
InChIInChI=1S/C13H13ClN4OS/c1-7-9(14)3-2-4-10(7)18-6-8(5-11(18)19)12-16-17-13(15)20-12/h2-4,8H,5-6H2,1H3,(H2,15,17)/t8-/m0/s1
InChIKeyTUQGXMJSEHVMFP-QMMMGPOBSA-N
MW308.79 g/mol
LogP2.60
Rot. Bonds2

About (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one

(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one (PubChem CID 51604297) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one
PubChem CID51604297
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one
SMILESCc1c(Cl)cccc1N1C[C@@H](c2nnc(N)s2)CC1=O
InChIInChI=1S/C13H13ClN4OS/c1-7-9(14)3-2-4-10(7)18-6-8(5-11(18)19)12-16-17-13(15)20-12/h2-4,8H,5-6H2,1H3,(H2,15,17)/t8-/m0/s1
InChIKeyTUQGXMJSEHVMFP-QMMMGPOBSA-N
XLogP2.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 51604276
(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 51604277
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 51604288
1-(3-chloro-2-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18525235
(3R)-1-(3-chloro-2-methylphenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 7325420
(3R)-1-(3-chloro-2-methylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 970364
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056265
ethyl 2-[[5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate
CID 17203421
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056249
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one (CID 51604297) is (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one is Cc1c(Cl)cccc1N1C[C@@H](c2nnc(N)s2)CC1=O.
What is the InChIKey of (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is TUQGXMJSEHVMFP-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c1-7-9(14)3-2-4-10(7)18-6-8(5-11(18)19)12-16-17-13(15)20-12/h2-4,8H,5-6H2,1H3,(H2,15,17)/t8-/m0/s1.
What are the key properties of (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one?
(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one has a molecular weight of 308.79 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 51604297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).