5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one

C12H11N3OS — CID 82479021

IUPAC5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
SMILESNCc1cc(-c2ccc3c(c2)CC(=O)N3)ns1
InChIInChI=1S/C12H11N3OS/c13-6-9-5-11(15-17-9)7-1-2-10-8(3-7)4-12(16)14-10/h1-3,5H,4,6,13H2,(H,14,16)
InChIKeyPBWZGBFJOPRFGY-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.76
Rot. Bonds2

About 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one

5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one (PubChem CID 82479021) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
PubChem CID82479021
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
SMILESNCc1cc(-c2ccc3c(c2)CC(=O)N3)ns1
InChIInChI=1S/C12H11N3OS/c13-6-9-5-11(15-17-9)7-1-2-10-8(3-7)4-12(16)14-10/h1-3,5H,4,6,13H2,(H,14,16)
InChIKeyPBWZGBFJOPRFGY-UHFFFAOYSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298805
5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 82360106
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804
2-[5-(2-oxo-1,3-dihydroindol-5-yl)-1,2-oxazol-3-yl]acetic acid
CID 82483292
5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
CID 116832496
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
CID 82299815

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one (CID 82479021) is 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one is NCc1cc(-c2ccc3c(c2)CC(=O)N3)ns1.
What is the InChIKey of 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is PBWZGBFJOPRFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-6-9-5-11(15-17-9)7-1-2-10-8(3-7)4-12(16)14-10/h1-3,5H,4,6,13H2,(H,14,16).
What are the key properties of 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one?
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 245.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82479021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).