1-amino-3-quinolin-6-ylthiourea

C10H10N4S — CID 62635286

IUPAC1-amino-3-quinolin-6-ylthiourea
SMILESNNC(=S)Nc1ccc2ncccc2c1
InChIInChI=1S/C10H10N4S/c11-14-10(15)13-8-3-4-9-7(6-8)2-1-5-12-9/h1-6H,11H2,(H2,13,14,15)
InChIKeyPUSJBDOCFBXGHH-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.39
Rot. Bonds1

About 1-amino-3-quinolin-6-ylthiourea

1-amino-3-quinolin-6-ylthiourea (PubChem CID 62635286) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-amino-3-quinolin-6-ylthiourea.

Molecular Properties

Compound Name1-amino-3-quinolin-6-ylthiourea
PubChem CID62635286
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name1-amino-3-quinolin-6-ylthiourea
SMILESNNC(=S)Nc1ccc2ncccc2c1
InChIInChI=1S/C10H10N4S/c11-14-10(15)13-8-3-4-9-7(6-8)2-1-5-12-9/h1-6H,11H2,(H2,13,14,15)
InChIKeyPUSJBDOCFBXGHH-UHFFFAOYSA-N
XLogP1.39
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

quinolin-6-ylthiourea
CID 1480925
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-quinolin-6-ylbenzamide
CID 833617
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
2,2-dimethyl-3-(quinolin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835821
2-hydrazinyl-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640418
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
2-bromo-4-(quinolin-6-ylamino)benzenecarbothioamide
CID 107277735
2-amino-2-methyl-N-quinolin-6-ylbutanamide
CID 79811443
6-amino-N-quinolin-6-ylpyridine-3-carboxamide
CID 62642214

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-quinolin-6-ylthiourea?
The IUPAC name of 1-amino-3-quinolin-6-ylthiourea (CID 62635286) is 1-amino-3-quinolin-6-ylthiourea.
What is the SMILES notation for 1-amino-3-quinolin-6-ylthiourea?
The canonical SMILES for 1-amino-3-quinolin-6-ylthiourea is NNC(=S)Nc1ccc2ncccc2c1.
What is the InChIKey of 1-amino-3-quinolin-6-ylthiourea?
The InChIKey is PUSJBDOCFBXGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c11-14-10(15)13-8-3-4-9-7(6-8)2-1-5-12-9/h1-6H,11H2,(H2,13,14,15).
What are the key properties of 1-amino-3-quinolin-6-ylthiourea?
1-amino-3-quinolin-6-ylthiourea has a molecular weight of 218.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-quinolin-6-ylthiourea is sourced from PubChem (CID 62635286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).