5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

C15H17N3OS — CID 9343622

IUPAC5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCCCCNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C15H17N3OS/c1-2-3-6-16-15-18-13(9-20-15)10-4-5-12-11(7-10)8-14(19)17-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyGPKJLHANLXXQCL-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.52
Rot. Bonds5

About 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 9343622) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID9343622
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCCCCNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C15H17N3OS/c1-2-3-6-16-15-18-13(9-20-15)10-4-5-12-11(7-10)8-14(19)17-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyGPKJLHANLXXQCL-UHFFFAOYSA-N
XLogP3.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 9343622) is 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is CCCCNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1.
What is the InChIKey of 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is GPKJLHANLXXQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-3-6-16-15-18-13(9-20-15)10-4-5-12-11(7-10)8-14(19)17-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 9343622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).