7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H14N4OS — CID 51727342

IUPAC7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3c4ccccc4C[C@@H]3C)sc2n1
InChIInChI=1S/C15H14N4OS/c1-9-7-13(20)19-14(16-9)21-15(17-19)18-10(2)8-11-5-3-4-6-12(11)18/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyFFLRJTVIQQEMOC-JTQLQIEISA-N
MW298.37 g/mol
LogP2.54
Rot. Bonds1

About 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51727342) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID51727342
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3c4ccccc4C[C@@H]3C)sc2n1
InChIInChI=1S/C15H14N4OS/c1-9-7-13(20)19-14(16-9)21-15(17-19)18-10(2)8-11-5-3-4-6-12(11)18/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyFFLRJTVIQQEMOC-JTQLQIEISA-N
XLogP2.54
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 79398878
2-(azepan-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147073
3-[4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]propanoic acid
CID 82161972
4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687417
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 63511241
(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 27261997
N-ethyl-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-4-amine
CID 112928815
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 80687390
N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112928303
[4,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 61252422
6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327550

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 51727342) is 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3c4ccccc4C[C@@H]3C)sc2n1.
What is the InChIKey of 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FFLRJTVIQQEMOC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-7-13(20)19-14(16-9)21-15(17-19)18-10(2)8-11-5-3-4-6-12(11)18/h3-7,10H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 298.37 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51727342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).