2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H17N3O2S — CID 133265038

IUPAC2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2ncc(C(=O)N3c4ccccc4CC3C)c(=O)n2c1C
InChIInChI=1S/C18H17N3O2S/c1-10-8-13-6-4-5-7-15(13)20(10)16(22)14-9-19-18-21(17(14)23)11(2)12(3)24-18/h4-7,9-10H,8H2,1-3H3
InChIKeyXSFFOMFWLWNRLK-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.96
Rot. Bonds1

About 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133265038) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID133265038
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2ncc(C(=O)N3c4ccccc4CC3C)c(=O)n2c1C
InChIInChI=1S/C18H17N3O2S/c1-10-8-13-6-4-5-7-15(13)20(10)16(22)14-9-19-18-21(17(14)23)11(2)12(3)24-18/h4-7,9-10H,8H2,1-3H3
InChIKeyXSFFOMFWLWNRLK-UHFFFAOYSA-N
XLogP2.96
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6937793
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
4-methyl-2-[5-methyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049037
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 61091919
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42943792
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 133265038) is 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1sc2ncc(C(=O)N3c4ccccc4CC3C)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XSFFOMFWLWNRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-8-13-6-4-5-7-15(13)20(10)16(22)14-9-19-18-21(17(14)23)11(2)12(3)24-18/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 339.42 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133265038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).