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

C18H16N2OS — CID 3149505

IUPAC(2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1nc2cc(C(=O)N3c4ccccc4CC3C)ccc2s1
InChIInChI=1S/C18H16N2OS/c1-11-9-13-5-3-4-6-16(13)20(11)18(21)14-7-8-17-15(10-14)19-12(2)22-17/h3-8,10-11H,9H2,1-2H3
InChIKeyXPEQBTRLWGLTCH-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.20
Rot. Bonds1

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

(2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 3149505) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID3149505
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name(2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1nc2cc(C(=O)N3c4ccccc4CC3C)ccc2s1
InChIInChI=1S/C18H16N2OS/c1-11-9-13-5-3-4-6-16(13)20(11)18(21)14-7-8-17-15(10-14)19-12(2)22-17/h3-8,10-11H,9H2,1-2H3
InChIKeyXPEQBTRLWGLTCH-UHFFFAOYSA-N
XLogP4.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 980050
2-(1,3-benzothiazol-2-yl)-N-tert-butylbenzamide
CID 2078423
N-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-N-methylbenzamide
CID 8085236
2-Methyl-3-(2-oxo-2-phenylethyl)-1,3-benzothiazol-3-ium
CID 12539171
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-fluoro-N-methylbenzamide
CID 16316743
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-difluoro-N-methylbenzamide
CID 16320216
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylbenzamide
CID 24236869
F0725-0480
CID 2880652

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 3149505) is (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1nc2cc(C(=O)N3c4ccccc4CC3C)ccc2s1.
What is the InChIKey of (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is XPEQBTRLWGLTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-11-9-13-5-3-4-6-16(13)20(11)18(21)14-7-8-17-15(10-14)19-12(2)22-17/h3-8,10-11H,9H2,1-2H3.
What are the key properties of (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 308.41 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3149505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).