1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

C17H24N4OS — CID 7934193

IUPAC1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCOCC1)N/N=C1/CCCc2ccccc21
InChIInChI=1S/C17H24N4OS/c23-17(18-8-9-21-10-12-22-13-11-21)20-19-16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6H,3,5,7-13H2,(H2,18,20,23)/b19-16-
InChIKeyNGKVKJBLRSROJL-MNDPQUGUSA-N
MW332.47 g/mol
LogP1.52
Rot. Bonds4

About 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 7934193) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID7934193
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCOCC1)N/N=C1/CCCc2ccccc21
InChIInChI=1S/C17H24N4OS/c23-17(18-8-9-21-10-12-22-13-11-21)20-19-16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6H,3,5,7-13H2,(H2,18,20,23)/b19-16-
InChIKeyNGKVKJBLRSROJL-MNDPQUGUSA-N
XLogP1.52
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 7934135
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-ethylthiourea
CID 6284692
1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2402954
1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
CID 9411582
1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
CID 1252297
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
1-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135433240
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
1-[(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2364737
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586
1-[(E)-(1-methylindol-3-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508506
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (CID 7934193) is 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is S=C(NCCN1CCOCC1)N/N=C1/CCCc2ccccc21.
What is the InChIKey of 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is NGKVKJBLRSROJL-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H24N4OS/c23-17(18-8-9-21-10-12-22-13-11-21)20-19-16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6H,3,5,7-13H2,(H2,18,20,23)/b19-16-.
What are the key properties of 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 332.47 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 7934193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).