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

C17H15N3O2S — CID 4129028

IUPAC3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3c4ccccc4CC3C)c(=O)n12
InChIInChI=1S/C17H15N3O2S/c1-10-7-12-5-3-4-6-14(12)19(10)15(21)13-8-18-17-20(16(13)22)11(2)9-23-17/h3-6,8-10H,7H2,1-2H3
InChIKeyZAMHLJLDMQADGU-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.66
Rot. Bonds1

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

3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4129028) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4129028
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3c4ccccc4CC3C)c(=O)n12
InChIInChI=1S/C17H15N3O2S/c1-10-7-12-5-3-4-6-14(12)19(10)15(21)13-8-18-17-20(16(13)22)11(2)9-23-17/h3-6,8-10H,7H2,1-2H3
InChIKeyZAMHLJLDMQADGU-UHFFFAOYSA-N
XLogP2.66
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4129028) is 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2ncc(C(=O)N3c4ccccc4CC3C)c(=O)n12.
What is the InChIKey of 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZAMHLJLDMQADGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-7-12-5-3-4-6-14(12)19(10)15(21)13-8-18-17-20(16(13)22)11(2)9-23-17/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 325.39 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4129028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).