[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea

C19H16ClN3OS — CID 5499756

IUPAC[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea
SMILESNC(=S)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C19H16ClN3OS/c20-17-8-4-2-6-14(17)12-24-18-10-9-13-5-1-3-7-15(13)16(18)11-22-23-19(21)25/h1-11H,12H2,(H3,21,23,25)/b22-11-
InChIKeyFDESLNIKQJPPOE-JJFYIABZSA-N
MW369.88 g/mol
LogP4.24
Rot. Bonds5

About [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea

[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea (PubChem CID 5499756) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea
PubChem CID5499756
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea
SMILESNC(=S)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C19H16ClN3OS/c20-17-8-4-2-6-14(17)12-24-18-10-9-13-5-1-3-7-15(13)16(18)11-22-23-19(21)25/h1-11H,12H2,(H3,21,23,25)/b22-11-
InChIKeyFDESLNIKQJPPOE-JJFYIABZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea?
The IUPAC name of [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea (CID 5499756) is [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea.
What is the SMILES notation for [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea?
The canonical SMILES for [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea is NC(=S)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea?
The InChIKey is FDESLNIKQJPPOE-JJFYIABZSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-17-8-4-2-6-14(17)12-24-18-10-9-13-5-1-3-7-15(13)16(18)11-22-23-19(21)25/h1-11H,12H2,(H3,21,23,25)/b22-11-.
What are the key properties of [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea?
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]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 [(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea is sourced from PubChem (CID 5499756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).