2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine

C13H13N5OS — CID 6502040

IUPAC2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESCC1C(=O)Nc2ccc(-c3csc(N=C(N)N)n3)cc21
InChIInChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)
InChIKeyCQUNHLZVPLLHNG-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.77
Rot. Bonds2

About 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine

2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 6502040) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID6502040
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESCC1C(=O)Nc2ccc(-c3csc(N=C(N)N)n3)cc21
InChIInChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)
InChIKeyCQUNHLZVPLLHNG-UHFFFAOYSA-N
XLogP1.77
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine (CID 6502040) is 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine is CC1C(=O)Nc2ccc(-c3csc(N=C(N)N)n3)cc21.
What is the InChIKey of 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is CQUNHLZVPLLHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18).
What are the key properties of 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 287.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 6502040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).