1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

C19H24N4O2S — CID 6905190

IUPAC1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccc2ccccc2c1/C=N/NC(=S)NCCN1CCOCC1
InChIInChI=1S/C19H24N4O2S/c1-24-18-7-6-15-4-2-3-5-16(15)17(18)14-21-22-19(26)20-8-9-23-10-12-25-13-11-23/h2-7,14H,8-13H2,1H3,(H2,20,22,26)/b21-14+
InChIKeyGTXVYQKWOMIUNX-KGENOOAVSA-N
MW372.49 g/mol
LogP1.98
Rot. Bonds6

About 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 6905190) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID6905190
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccc2ccccc2c1/C=N/NC(=S)NCCN1CCOCC1
InChIInChI=1S/C19H24N4O2S/c1-24-18-7-6-15-4-2-3-5-16(15)17(18)14-21-22-19(26)20-8-9-23-10-12-25-13-11-23/h2-7,14H,8-13H2,1H3,(H2,20,22,26)/b21-14+
InChIKeyGTXVYQKWOMIUNX-KGENOOAVSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (CID 6905190) is 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is COc1ccc2ccccc2c1/C=N/NC(=S)NCCN1CCOCC1.
What is the InChIKey of 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is GTXVYQKWOMIUNX-KGENOOAVSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-24-18-7-6-15-4-2-3-5-16(15)17(18)14-21-22-19(26)20-8-9-23-10-12-25-13-11-23/h2-7,14H,8-13H2,1H3,(H2,20,22,26)/b21-14+.
What are the key properties of 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 372.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 6905190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).