[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone

C14H14BrN3OS — CID 120632945

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone
SMILESNCCc1nc(C(=O)N2CCc3ccc(Br)cc32)cs1
InChIInChI=1S/C14H14BrN3OS/c15-10-2-1-9-4-6-18(12(9)7-10)14(19)11-8-20-13(17-11)3-5-16/h1-2,7-8H,3-6,16H2
InChIKeyWDVGEJFXWCQNQG-UHFFFAOYSA-N
MW352.26 g/mol
LogP2.61
Rot. Bonds3

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone (PubChem CID 120632945) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone
PubChem CID120632945
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone
SMILESNCCc1nc(C(=O)N2CCc3ccc(Br)cc32)cs1
InChIInChI=1S/C14H14BrN3OS/c15-10-2-1-9-4-6-18(12(9)7-10)14(19)11-8-20-13(17-11)3-5-16/h1-2,7-8H,3-6,16H2
InChIKeyWDVGEJFXWCQNQG-UHFFFAOYSA-N
XLogP2.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-bromobenzoic acid
CID 66388543
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120631607
2-(2-aminoethyl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632635
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124515126
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 120637679
(6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 56788354
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 120632496

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone (CID 120632945) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone is NCCc1nc(C(=O)N2CCc3ccc(Br)cc32)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone?
The InChIKey is WDVGEJFXWCQNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c15-10-2-1-9-4-6-18(12(9)7-10)14(19)11-8-20-13(17-11)3-5-16/h1-2,7-8H,3-6,16H2.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone has a molecular weight of 352.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 120632945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).