[(E)-1H-indol-3-ylmethylideneamino]thiourea

C10H10N4S — CID 135400404

IUPAC[(E)-1H-indol-3-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N4S/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/b13-6+
InChIKeyRZOVCYGQNDYSCH-AWNIVKPZSA-N
MW218.29 g/mol
LogP1.34
Rot. Bonds2

About [(E)-1H-indol-3-ylmethylideneamino]thiourea

[(E)-1H-indol-3-ylmethylideneamino]thiourea (PubChem CID 135400404) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is [(E)-1H-indol-3-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1H-indol-3-ylmethylideneamino]thiourea
PubChem CID135400404
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name[(E)-1H-indol-3-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N4S/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/b13-6+
InChIKeyRZOVCYGQNDYSCH-AWNIVKPZSA-N
XLogP1.34
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of [(E)-1H-indol-3-ylmethylideneamino]thiourea?
The IUPAC name of [(E)-1H-indol-3-ylmethylideneamino]thiourea (CID 135400404) is [(E)-1H-indol-3-ylmethylideneamino]thiourea.
What is the SMILES notation for [(E)-1H-indol-3-ylmethylideneamino]thiourea?
The canonical SMILES for [(E)-1H-indol-3-ylmethylideneamino]thiourea is NC(=S)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of [(E)-1H-indol-3-ylmethylideneamino]thiourea?
The InChIKey is RZOVCYGQNDYSCH-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H10N4S/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/b13-6+.
What are the key properties of [(E)-1H-indol-3-ylmethylideneamino]thiourea?
[(E)-1H-indol-3-ylmethylideneamino]thiourea has a molecular weight of 218.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1H-indol-3-ylmethylideneamino]thiourea is sourced from PubChem (CID 135400404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).