quinolin-5-ylthiourea

C10H9N3S — CID 1471601

IUPACquinolin-5-ylthiourea
SMILESNC(=S)Nc1cccc2ncccc12
InChIInChI=1S/C10H9N3S/c11-10(14)13-9-5-1-4-8-7(9)3-2-6-12-8/h1-6H,(H3,11,13,14)
InChIKeyTUAOXEMLOUKHAY-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.89
Rot. Bonds1

About quinolin-5-ylthiourea

quinolin-5-ylthiourea (PubChem CID 1471601) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is quinolin-5-ylthiourea.

Molecular Properties

Compound Namequinolin-5-ylthiourea
PubChem CID1471601
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Namequinolin-5-ylthiourea
SMILESNC(=S)Nc1cccc2ncccc12
InChIInChI=1S/C10H9N3S/c11-10(14)13-9-5-1-4-8-7(9)3-2-6-12-8/h1-6H,(H3,11,13,14)
InChIKeyTUAOXEMLOUKHAY-UHFFFAOYSA-N
XLogP1.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze quinolin-5-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamothioyl-3-quinolin-5-ylthiourea
CID 24835821
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
methyl N-quinolin-5-ylcarbamate
CID 110734012
(5-cyanoquinolin-6-yl)thiourea
CID 169357315
1-cyclohexyl-3-quinolin-5-ylthiourea
CID 115570849
4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3884706
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
5-(quinolin-5-ylamino)pyridine-2-carbothioamide
CID 115488091
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
CID 73213052
CID 73213052
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3965193

Frequently Asked Questions

What is the IUPAC name of quinolin-5-ylthiourea?
The IUPAC name of quinolin-5-ylthiourea (CID 1471601) is quinolin-5-ylthiourea.
What is the SMILES notation for quinolin-5-ylthiourea?
The canonical SMILES for quinolin-5-ylthiourea is NC(=S)Nc1cccc2ncccc12.
What is the InChIKey of quinolin-5-ylthiourea?
The InChIKey is TUAOXEMLOUKHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c11-10(14)13-9-5-1-4-8-7(9)3-2-6-12-8/h1-6H,(H3,11,13,14).
What are the key properties of quinolin-5-ylthiourea?
quinolin-5-ylthiourea has a molecular weight of 203.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-5-ylthiourea is sourced from PubChem (CID 1471601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).