1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea

C20H24N4O2S — CID 7934173

IUPAC1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
SMILESS=C(NCCN1CCOCC1)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N4O2S/c27-20(21-9-10-24-11-13-25-14-12-24)23-22-16-17-5-4-8-19(15-17)26-18-6-2-1-3-7-18/h1-8,15-16H,9-14H2,(H2,21,23,27)/b22-16-
InChIKeyBAWQNSHTPVLKRQ-JWGURIENSA-N
MW384.50 g/mol
LogP2.61
Rot. Bonds7

About 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea

1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea (PubChem CID 7934173) has the molecular formula C20H24N4O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
PubChem CID7934173
Molecular FormulaC20H24N4O2S
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
SMILESS=C(NCCN1CCOCC1)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N4O2S/c27-20(21-9-10-24-11-13-25-14-12-24)23-22-16-17-5-4-8-19(15-17)26-18-6-2-1-3-7-18/h1-8,15-16H,9-14H2,(H2,21,23,27)/b22-16-
InChIKeyBAWQNSHTPVLKRQ-JWGURIENSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.61
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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Related Compounds

1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
CID 9411414
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586
1-[(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2364737
1-benzyl-3-[(3-phenoxyphenyl)methylideneamino]thiourea
CID 2402408
1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2402954
1-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135433240
4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1361849
1-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 9216862
1-[(E)-(1-methylindol-3-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508506
1-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508469
1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411374
[2-methoxy-4-[(Z)-(2-morpholin-4-ylethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 6251288

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea (CID 7934173) is 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea is S=C(NCCN1CCOCC1)N/N=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea?
The InChIKey is BAWQNSHTPVLKRQ-JWGURIENSA-N. The full InChI is InChI=1S/C20H24N4O2S/c27-20(21-9-10-24-11-13-25-14-12-24)23-22-16-17-5-4-8-19(15-17)26-18-6-2-1-3-7-18/h1-8,15-16H,9-14H2,(H2,21,23,27)/b22-16-.
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea?
1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea has a molecular weight of 384.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 7934173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).