[(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea

C12H14N4S — CID 5380681

IUPAC[(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea
SMILESCCn1c(/C=N\NC(N)=S)cc2ccccc21
InChIInChI=1S/C12H14N4S/c1-2-16-10(8-14-15-12(13)17)7-9-5-3-4-6-11(9)16/h3-8H,2H2,1H3,(H3,13,15,17)/b14-8-
InChIKeyHHNVNKGXSVWQOS-ZSOIEALJSA-N
MW246.34 g/mol
LogP1.83
Rot. Bonds3

About [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea

[(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea (PubChem CID 5380681) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea
PubChem CID5380681
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name[(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea
SMILESCCn1c(/C=N\NC(N)=S)cc2ccccc21
InChIInChI=1S/C12H14N4S/c1-2-16-10(8-14-15-12(13)17)7-9-5-3-4-6-11(9)16/h3-8H,2H2,1H3,(H3,13,15,17)/b14-8-
InChIKeyHHNVNKGXSVWQOS-ZSOIEALJSA-N
XLogP1.83
TPSA55.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea (CID 5380681) is [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea is CCn1c(/C=N\NC(N)=S)cc2ccccc21.
What is the InChIKey of [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea?
The InChIKey is HHNVNKGXSVWQOS-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-16-10(8-14-15-12(13)17)7-9-5-3-4-6-11(9)16/h3-8H,2H2,1H3,(H3,13,15,17)/b14-8-.
What are the key properties of [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea?
[(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea has a molecular weight of 246.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-ethylindol-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 5380681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).