5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one

C11H10N4OS — CID 82360106

IUPAC5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
SMILESNCc1nnc(-c2ccc3c(c2)CC(=O)N3)s1
InChIInChI=1S/C11H10N4OS/c12-5-10-14-15-11(17-10)6-1-2-8-7(3-6)4-9(16)13-8/h1-3H,4-5,12H2,(H,13,16)
InChIKeyCPXSJKJBLIFZSV-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.16
Rot. Bonds2

About 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one

5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one (PubChem CID 82360106) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
PubChem CID82360106
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
SMILESNCc1nnc(-c2ccc3c(c2)CC(=O)N3)s1
InChIInChI=1S/C11H10N4OS/c12-5-10-14-15-11(17-10)6-1-2-8-7(3-6)4-9(16)13-8/h1-3H,4-5,12H2,(H,13,16)
InChIKeyCPXSJKJBLIFZSV-UHFFFAOYSA-N
XLogP1.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298805
5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 67089543
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
2-[5-(2-oxo-1,3-dihydroindol-5-yl)-1,2-oxazol-3-yl]acetic acid
CID 82483292
5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
CID 90042193
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804
5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one
CID 90041635
5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
CID 122662664
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one (CID 82360106) is 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one is NCc1nnc(-c2ccc3c(c2)CC(=O)N3)s1.
What is the InChIKey of 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is CPXSJKJBLIFZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-5-10-14-15-11(17-10)6-1-2-8-7(3-6)4-9(16)13-8/h1-3H,4-5,12H2,(H,13,16).
What are the key properties of 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one?
5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 246.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82360106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).