[(2-chloroquinolin-3-yl)methylideneamino]thiourea

C11H9ClN4S — CID 71333342

IUPAC[(2-chloroquinolin-3-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C11H9ClN4S/c12-10-8(6-14-16-11(13)17)5-7-3-1-2-4-9(7)15-10/h1-6H,(H3,13,16,17)
InChIKeyCGJGGSPYFVUYDS-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.06
Rot. Bonds2

About [(2-chloroquinolin-3-yl)methylideneamino]thiourea

[(2-chloroquinolin-3-yl)methylideneamino]thiourea (PubChem CID 71333342) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is [(2-chloroquinolin-3-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(2-chloroquinolin-3-yl)methylideneamino]thiourea
PubChem CID71333342
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name[(2-chloroquinolin-3-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C11H9ClN4S/c12-10-8(6-14-16-11(13)17)5-7-3-1-2-4-9(7)15-10/h1-6H,(H3,13,16,17)
InChIKeyCGJGGSPYFVUYDS-UHFFFAOYSA-N
XLogP2.06
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6897391
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061370
5-bromo-N-[(2-chloroquinolin-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 3518174
[(5-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168534129
N-[2-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6304212
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 761994
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1377609
(acridin-9-ylmethylideneamino)thiourea
CID 71356820
[(4-chloro-2,3-difluorophenyl)methylideneamino]thiourea
CID 168534955
[(E)-acridin-9-ylmethylideneamino]thiourea
CID 127261622
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5439769

Frequently Asked Questions

What is the IUPAC name of [(2-chloroquinolin-3-yl)methylideneamino]thiourea?
The IUPAC name of [(2-chloroquinolin-3-yl)methylideneamino]thiourea (CID 71333342) is [(2-chloroquinolin-3-yl)methylideneamino]thiourea.
What is the SMILES notation for [(2-chloroquinolin-3-yl)methylideneamino]thiourea?
The canonical SMILES for [(2-chloroquinolin-3-yl)methylideneamino]thiourea is NC(=S)NN=Cc1cc2ccccc2nc1Cl.
What is the InChIKey of [(2-chloroquinolin-3-yl)methylideneamino]thiourea?
The InChIKey is CGJGGSPYFVUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-10-8(6-14-16-11(13)17)5-7-3-1-2-4-9(7)15-10/h1-6H,(H3,13,16,17).
What are the key properties of [(2-chloroquinolin-3-yl)methylideneamino]thiourea?
[(2-chloroquinolin-3-yl)methylideneamino]thiourea has a molecular weight of 264.74 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloroquinolin-3-yl)methylideneamino]thiourea is sourced from PubChem (CID 71333342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).