(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C13H13N3OS — CID 65199933

IUPAC(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCc3cc(N)ccc32)cs1
InChIInChI=1S/C13H13N3OS/c1-8-15-11(7-18-8)13(17)16-5-4-9-6-10(14)2-3-12(9)16/h2-3,6-7H,4-5,14H2,1H3
InChIKeyMLFIOWXEPQWYBV-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.24
Rot. Bonds1

About (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 65199933) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID65199933
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCc3cc(N)ccc32)cs1
InChIInChI=1S/C13H13N3OS/c1-8-15-11(7-18-8)13(17)16-5-4-9-6-10(14)2-3-12(9)16/h2-3,6-7H,4-5,14H2,1H3
InChIKeyMLFIOWXEPQWYBV-UHFFFAOYSA-N
XLogP2.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66373617
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760441
(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62056525
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336521
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
(5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 136542867
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 99716081
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80644164
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 27039682

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 65199933) is (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCc3cc(N)ccc32)cs1.
What is the InChIKey of (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MLFIOWXEPQWYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-15-11(7-18-8)13(17)16-5-4-9-6-10(14)2-3-12(9)16/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 259.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 65199933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).