[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea

C19H16ClN3OS — CID 5082647

IUPAC[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cc(Cl)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C19H16ClN3OS/c20-16-8-9-18(15(10-16)11-22-23-19(21)25)24-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,21,23,25)
InChIKeyQVLKIQBKNUWFIE-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.24
Rot. Bonds5

About [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea

[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea (PubChem CID 5082647) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
PubChem CID5082647
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cc(Cl)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C19H16ClN3OS/c20-16-8-9-18(15(10-16)11-22-23-19(21)25)24-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,21,23,25)
InChIKeyQVLKIQBKNUWFIE-UHFFFAOYSA-N
XLogP4.24
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea 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

[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 168535185
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]thiourea
CID 5412812
N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657836
[[5-chloro-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
CID 4151159
[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 1370223
N-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169709
[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
[(E)-[2-[[2,4,5-tris[[2-[(E)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
CID 139236029
N-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126332827
N-[(E)-(5-chloro-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 124555287
2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide
CID 124551221
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3295485

Frequently Asked Questions

What is the IUPAC name of [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea?
The IUPAC name of [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea (CID 5082647) is [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea.
What is the SMILES notation for [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea?
The canonical SMILES for [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea is NC(=S)NN=Cc1cc(Cl)ccc1OCc1cccc2ccccc12.
What is the InChIKey of [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea?
The InChIKey is QVLKIQBKNUWFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-16-8-9-18(15(10-16)11-22-23-19(21)25)24-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,21,23,25).
What are the key properties of [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea?
[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea has a molecular weight of 369.88 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea is sourced from PubChem (CID 5082647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).