(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone

C15H18N4OS — CID 65205964

IUPAC(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C15H18N4OS/c1-15(2,3)13-12(21-18-17-13)14(20)19-7-6-9-4-5-10(16)8-11(9)19/h4-5,8H,6-7,16H2,1-3H3
InChIKeyCGLXKFKFBCTKFF-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.62
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone

(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone (PubChem CID 65205964) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
PubChem CID65205964
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C15H18N4OS/c1-15(2,3)13-12(21-18-17-13)14(20)19-7-6-9-4-5-10(16)8-11(9)19/h4-5,8H,6-7,16H2,1-3H3
InChIKeyCGLXKFKFBCTKFF-UHFFFAOYSA-N
XLogP2.62
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.62
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-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone (CID 65205964) is (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone is CC(C)(C)c1nnsc1C(=O)N1CCc2ccc(N)cc21.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone?
The InChIKey is CGLXKFKFBCTKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-15(2,3)13-12(21-18-17-13)14(20)19-7-6-9-4-5-10(16)8-11(9)19/h4-5,8H,6-7,16H2,1-3H3.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone?
(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65205964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).