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

C14H16N4OS — CID 83213348

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C14H16N4OS/c1-3-11-13(20-17-16-11)14(19)18-5-4-9-6-8(2)10(15)7-12(9)18/h6-7H,3-5,15H2,1-2H3
InChIKeySYNDWTVDCKIQBN-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.19
Rot. Bonds2

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 83213348) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone
PubChem CID83213348
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C14H16N4OS/c1-3-11-13(20-17-16-11)14(19)18-5-4-9-6-8(2)10(15)7-12(9)18/h6-7H,3-5,15H2,1-2H3
InChIKeySYNDWTVDCKIQBN-UHFFFAOYSA-N
XLogP2.19
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone (CID 83213348) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CCc2cc(C)c(N)cc21.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is SYNDWTVDCKIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-11-13(20-17-16-11)14(19)18-5-4-9-6-8(2)10(15)7-12(9)18/h6-7H,3-5,15H2,1-2H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 288.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 83213348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).