(5-cyanoquinolin-6-yl)thiourea

C11H8N4S — CID 169357315

IUPAC(5-cyanoquinolin-6-yl)thiourea
SMILESN#Cc1c(NC(N)=S)ccc2ncccc12
InChIInChI=1S/C11H8N4S/c12-6-8-7-2-1-5-14-9(7)3-4-10(8)15-11(13)16/h1-5H,(H3,13,15,16)
InChIKeyZLJPVXLSPYDFEV-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.76
Rot. Bonds1

About (5-cyanoquinolin-6-yl)thiourea

(5-cyanoquinolin-6-yl)thiourea (PubChem CID 169357315) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is (5-cyanoquinolin-6-yl)thiourea.

Molecular Properties

Compound Name(5-cyanoquinolin-6-yl)thiourea
PubChem CID169357315
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name(5-cyanoquinolin-6-yl)thiourea
SMILESN#Cc1c(NC(N)=S)ccc2ncccc12
InChIInChI=1S/C11H8N4S/c12-6-8-7-2-1-5-14-9(7)3-4-10(8)15-11(13)16/h1-5H,(H3,13,15,16)
InChIKeyZLJPVXLSPYDFEV-UHFFFAOYSA-N
XLogP1.76
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(5-cyanoquinolin-6-yl)acetamide
CID 168521448
quinolin-5-ylthiourea
CID 1471601
6-(2-aminoethylamino)quinoline-5-carbonitrile
CID 23188461
1-carbamothioyl-3-quinolin-5-ylthiourea
CID 24835821
6-methoxyquinoline-5-carbonitrile
CID 603537
6-[(4-cyano-2,5-dioxopyrrol-3-yl)amino]quinoline-5-carbonitrile
CID 12741231
quinolin-6-ylthiourea
CID 1480925
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697996
5-bromoquinoline-6-carbonitrile
CID 175111450
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
quinazolin-4-ylthiourea
CID 22649288

Frequently Asked Questions

What is the IUPAC name of (5-cyanoquinolin-6-yl)thiourea?
The IUPAC name of (5-cyanoquinolin-6-yl)thiourea (CID 169357315) is (5-cyanoquinolin-6-yl)thiourea.
What is the SMILES notation for (5-cyanoquinolin-6-yl)thiourea?
The canonical SMILES for (5-cyanoquinolin-6-yl)thiourea is N#Cc1c(NC(N)=S)ccc2ncccc12.
What is the InChIKey of (5-cyanoquinolin-6-yl)thiourea?
The InChIKey is ZLJPVXLSPYDFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c12-6-8-7-2-1-5-14-9(7)3-4-10(8)15-11(13)16/h1-5H,(H3,13,15,16).
What are the key properties of (5-cyanoquinolin-6-yl)thiourea?
(5-cyanoquinolin-6-yl)thiourea has a molecular weight of 228.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyanoquinolin-6-yl)thiourea is sourced from PubChem (CID 169357315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).