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

C14H16N4OS — CID 51604277

IUPAC(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2C[C@@H](c3nnc(N)s3)CC2=O)c1
InChIInChI=1S/C14H16N4OS/c1-8-3-9(2)5-11(4-8)18-7-10(6-12(18)19)13-16-17-14(15)20-13/h3-5,10H,6-7H2,1-2H3,(H2,15,17)/t10-/m0/s1
InChIKeyJCCJKVWNWQTFAB-JTQLQIEISA-N
MW288.38 g/mol
LogP2.26
Rot. Bonds2

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

(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one (PubChem CID 51604277) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
PubChem CID51604277
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2C[C@@H](c3nnc(N)s3)CC2=O)c1
InChIInChI=1S/C14H16N4OS/c1-8-3-9(2)5-11(4-8)18-7-10(6-12(18)19)13-16-17-14(15)20-13/h3-5,10H,6-7H2,1-2H3,(H2,15,17)/t10-/m0/s1
InChIKeyJCCJKVWNWQTFAB-JTQLQIEISA-N
XLogP2.26
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.26
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
(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 51604288
(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one
CID 51604297
N-[5-[(3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 40975295
N-[5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17204228
3-bromo-N-[5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17203058
N-[5-[(3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 40966501
N-[5-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 27262189
(E)-3-(2-chlorophenyl)-N-[5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 17203495
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50874050
2,2-dimethyl-N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17203656

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one (CID 51604277) is (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one is Cc1cc(C)cc(N2C[C@@H](c3nnc(N)s3)CC2=O)c1.
What is the InChIKey of (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is JCCJKVWNWQTFAB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4OS/c1-8-3-9(2)5-11(4-8)18-7-10(6-12(18)19)13-16-17-14(15)20-13/h3-5,10H,6-7H2,1-2H3,(H2,15,17)/t10-/m0/s1.
What are the key properties of (4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one?
(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 288.38 g/mol, XLogP of 2.26, 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-(3,5-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 51604277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).