3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one

C17H15N3OS — CID 86118895

IUPAC3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one
SMILESCCn1c2ccccc2c2cc(N3C(=O)CNC3=S)ccc21
InChIInChI=1S/C17H15N3OS/c1-2-19-14-6-4-3-5-12(14)13-9-11(7-8-15(13)19)20-16(21)10-18-17(20)22/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeySAQHSVZWXWBULT-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.04
Rot. Bonds2

About 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one

3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 86118895) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one
PubChem CID86118895
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one
SMILESCCn1c2ccccc2c2cc(N3C(=O)CNC3=S)ccc21
InChIInChI=1S/C17H15N3OS/c1-2-19-14-6-4-3-5-12(14)13-9-11(7-8-15(13)19)20-16(21)10-18-17(20)22/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeySAQHSVZWXWBULT-UHFFFAOYSA-N
XLogP3.04
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(9-ethylcarbazol-3-yl)acridin-9-one
CID 163562999
3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4961995
4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 68543076
5-ethylindeno[1,2-b]carbazol-11-one
CID 135020105
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9H-carbazole;9-ethylcarbazole
CID 159391034
(4S)-4-(9-ethylcarbazol-3-yl)-1,3-oxazolidin-2-one
CID 171184159
9-ethyl-3-(2-methyl-4-phenyldiazet-1-yl)carbazole
CID 170242926
9-ethylcarbazole-3-carboxylate
CID 7148416
9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole
CID 145393053
9-ethyl-2-methylcarbazole
CID 19788789

Frequently Asked Questions

What is the IUPAC name of 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one (CID 86118895) is 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one is CCn1c2ccccc2c2cc(N3C(=O)CNC3=S)ccc21.
What is the InChIKey of 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SAQHSVZWXWBULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-2-19-14-6-4-3-5-12(14)13-9-11(7-8-15(13)19)20-16(21)10-18-17(20)22/h3-9H,2,10H2,1H3,(H,18,22).
What are the key properties of 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one?
3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 309.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-ethylcarbazol-3-yl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 86118895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).