(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea

C12H15N3OS — CID 169359637

IUPAC(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea
SMILESCN1C(=O)C(C)(C)c2cc(NC(N)=S)ccc21
InChIInChI=1S/C12H15N3OS/c1-12(2)8-6-7(14-11(13)17)4-5-9(8)15(3)10(12)16/h4-6H,1-3H3,(H3,13,14,17)
InChIKeyBZEFYCCIHDNUMU-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.60
Rot. Bonds1

About (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea

(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea (PubChem CID 169359637) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea.

Molecular Properties

Compound Name(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea
PubChem CID169359637
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea
SMILESCN1C(=O)C(C)(C)c2cc(NC(N)=S)ccc21
InChIInChI=1S/C12H15N3OS/c1-12(2)8-6-7(14-11(13)17)4-5-9(8)15(3)10(12)16/h4-6H,1-3H3,(H3,13,14,17)
InChIKeyBZEFYCCIHDNUMU-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)thiourea
CID 169359553
4-amino-N-(1,3,3-trimethyl-2-oxoindol-5-yl)butanamide
CID 98033831
1-acetyl-N-(1,3,3-trimethyl-2-oxoindol-5-yl)piperidine-4-carboxamide
CID 110742190
6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide
CID 110742184
methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
2-(3-fluorophenyl)-N-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110713676
N-(3-methoxyphenyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764410
2-oxo-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetic acid
CID 82479711
5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one
CID 82495676
5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one
CID 82487605
2-(2H-tetrazol-5-yl)-3-[(1,3,3-trimethyl-2-oxoindol-5-yl)amino]prop-2-enenitrile
CID 169346410
N-(3,4-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519279

Frequently Asked Questions

What is the IUPAC name of (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea?
The IUPAC name of (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea (CID 169359637) is (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea.
What is the SMILES notation for (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea?
The canonical SMILES for (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea is CN1C(=O)C(C)(C)c2cc(NC(N)=S)ccc21.
What is the InChIKey of (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea?
The InChIKey is BZEFYCCIHDNUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-12(2)8-6-7(14-11(13)17)4-5-9(8)15(3)10(12)16/h4-6H,1-3H3,(H3,13,14,17).
What are the key properties of (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea?
(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea has a molecular weight of 249.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,3-trimethyl-2-oxoindol-5-yl)thiourea is sourced from PubChem (CID 169359637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).