1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea

C16H15N3OS — CID 4202699

IUPAC1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea
SMILESCc1ccc(NC(=S)NC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N3OS/c1-10-6-8-11(9-7-10)17-16(21)19-14-12-4-2-3-5-13(12)18-15(14)20/h2-9,14H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyRBYYYDLCINHGDQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.97
Rot. Bonds2

About 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea

1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea (PubChem CID 4202699) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea
PubChem CID4202699
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea
SMILESCc1ccc(NC(=S)NC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N3OS/c1-10-6-8-11(9-7-10)17-16(21)19-14-12-4-2-3-5-13(12)18-15(14)20/h2-9,14H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyRBYYYDLCINHGDQ-UHFFFAOYSA-N
XLogP2.97
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea (CID 4202699) is 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea is Cc1ccc(NC(=S)NC2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea?
The InChIKey is RBYYYDLCINHGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-6-8-11(9-7-10)17-16(21)19-14-12-4-2-3-5-13(12)18-15(14)20/h2-9,14H,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea?
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea has a molecular weight of 297.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea is sourced from PubChem (CID 4202699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).