1-carbamothioyl-3-quinolin-5-ylthiourea

C11H10N4S2 — CID 24835821

IUPAC1-carbamothioyl-3-quinolin-5-ylthiourea
SMILESNC(=S)NC(=S)Nc1cccc2ncccc12
InChIInChI=1S/C11H10N4S2/c12-10(16)15-11(17)14-9-5-1-4-8-7(9)3-2-6-13-8/h1-6H,(H4,12,14,15,16,17)
InChIKeyMOBJYSADRNSAQJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.76
Rot. Bonds1

About 1-carbamothioyl-3-quinolin-5-ylthiourea

1-carbamothioyl-3-quinolin-5-ylthiourea (PubChem CID 24835821) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-carbamothioyl-3-quinolin-5-ylthiourea.

Molecular Properties

Compound Name1-carbamothioyl-3-quinolin-5-ylthiourea
PubChem CID24835821
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC Name1-carbamothioyl-3-quinolin-5-ylthiourea
SMILESNC(=S)NC(=S)Nc1cccc2ncccc12
InChIInChI=1S/C11H10N4S2/c12-10(16)15-11(17)14-9-5-1-4-8-7(9)3-2-6-13-8/h1-6H,(H4,12,14,15,16,17)
InChIKeyMOBJYSADRNSAQJ-UHFFFAOYSA-N
XLogP1.76
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

quinolin-5-ylthiourea
CID 1471601
4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3884706
1-cyclohexyl-3-quinolin-5-ylthiourea
CID 115570849
3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3965193
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3933855
methyl N-quinolin-5-ylcarbamate
CID 110734012
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
3-bromo-4-methoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 4027215
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
5-(quinolin-5-ylamino)pyridine-2-carbothioamide
CID 115488091
(5-cyanoquinolin-6-yl)thiourea
CID 169357315
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-3-quinolin-5-ylthiourea?
The IUPAC name of 1-carbamothioyl-3-quinolin-5-ylthiourea (CID 24835821) is 1-carbamothioyl-3-quinolin-5-ylthiourea.
What is the SMILES notation for 1-carbamothioyl-3-quinolin-5-ylthiourea?
The canonical SMILES for 1-carbamothioyl-3-quinolin-5-ylthiourea is NC(=S)NC(=S)Nc1cccc2ncccc12.
What is the InChIKey of 1-carbamothioyl-3-quinolin-5-ylthiourea?
The InChIKey is MOBJYSADRNSAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c12-10(16)15-11(17)14-9-5-1-4-8-7(9)3-2-6-13-8/h1-6H,(H4,12,14,15,16,17).
What are the key properties of 1-carbamothioyl-3-quinolin-5-ylthiourea?
1-carbamothioyl-3-quinolin-5-ylthiourea has a molecular weight of 262.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-quinolin-5-ylthiourea is sourced from PubChem (CID 24835821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).