(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

C14H13N5OS — CID 110384951

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCc1nnc2sc(C(=O)N3c4ccccc4CC3C)nn12
InChIInChI=1S/C14H13N5OS/c1-8-7-10-5-3-4-6-11(10)18(8)13(20)12-17-19-9(2)15-16-14(19)21-12/h3-6,8H,7H2,1-2H3
InChIKeyIXTIIDSDKCOAQY-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.09
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (PubChem CID 110384951) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
PubChem CID110384951
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCc1nnc2sc(C(=O)N3c4ccccc4CC3C)nn12
InChIInChI=1S/C14H13N5OS/c1-8-7-10-5-3-4-6-11(10)18(8)13(20)12-17-19-9(2)15-16-14(19)21-12/h3-6,8H,7H2,1-2H3
InChIKeyIXTIIDSDKCOAQY-UHFFFAOYSA-N
XLogP2.09
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(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)-phenylmethanone
CID 15274130
[(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
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (CID 110384951) is (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is Cc1nnc2sc(C(=O)N3c4ccccc4CC3C)nn12.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The InChIKey is IXTIIDSDKCOAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-8-7-10-5-3-4-6-11(10)18(8)13(20)12-17-19-9(2)15-16-14(19)21-12/h3-6,8H,7H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone has a molecular weight of 299.36 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is sourced from PubChem (CID 110384951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).