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

C13H14N4OS — CID 51604276

IUPAC(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C[C@H](c3nnc(N)s3)CC2=O)c1
InChIInChI=1S/C13H14N4OS/c1-8-3-2-4-10(5-8)17-7-9(6-11(17)18)12-15-16-13(14)19-12/h2-5,9H,6-7H2,1H3,(H2,14,16)/t9-/m1/s1
InChIKeyGHWNBYJXKDUBBJ-SECBINFHSA-N
MW274.35 g/mol
LogP1.95
Rot. Bonds2

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

(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one (PubChem CID 51604276) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
PubChem CID51604276
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C[C@H](c3nnc(N)s3)CC2=O)c1
InChIInChI=1S/C13H14N4OS/c1-8-3-2-4-10(5-8)17-7-9(6-11(17)18)12-15-16-13(14)19-12/h2-5,9H,6-7H2,1H3,(H2,14,16)/t9-/m1/s1
InChIKeyGHWNBYJXKDUBBJ-SECBINFHSA-N
XLogP1.95
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 51604277
N-[5-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 27262189
2,2-dimethyl-N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17203656
(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one
CID 51604297
(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 51604288
N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 17203961
(E)-3-(4-chlorophenyl)-N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 17203815
3-methoxy-N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17203151
(E)-3-(2-chlorophenyl)-N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 17203490
2-ethyl-N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]hexanamide
CID 17203427
[4-[[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl] acetate
CID 17203194
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one (CID 51604276) is (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one is Cc1cccc(N2C[C@H](c3nnc(N)s3)CC2=O)c1.
What is the InChIKey of (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one?
The InChIKey is GHWNBYJXKDUBBJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8-3-2-4-10(5-8)17-7-9(6-11(17)18)12-15-16-13(14)19-12/h2-5,9H,6-7H2,1H3,(H2,14,16)/t9-/m1/s1.
What are the key properties of (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one?
(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one has a molecular weight of 274.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 51604276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).