(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone

C13H12N2OS — CID 110863849

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cncs1
InChIInChI=1S/C13H12N2OS/c1-9-6-10-4-2-3-5-11(10)15(9)13(16)12-7-14-8-17-12/h2-5,7-9H,6H2,1H3
InChIKeyRAVKLLIXZAUFEM-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.73
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 110863849) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID110863849
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cncs1
InChIInChI=1S/C13H12N2OS/c1-9-6-10-4-2-3-5-11(10)15(9)13(16)12-7-14-8-17-12/h2-5,7-9H,6H2,1H3
InChIKeyRAVKLLIXZAUFEM-UHFFFAOYSA-N
XLogP2.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 61091919
2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
CID 110856972
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(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)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 53124466
[5-(benzenesulfonyl)thiophen-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95091593
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone (CID 110863849) is (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cncs1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is RAVKLLIXZAUFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-6-10-4-2-3-5-11(10)15(9)13(16)12-7-14-8-17-12/h2-5,7-9H,6H2,1H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 244.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110863849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).