1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea

C20H24N4OS — CID 7930417

IUPAC1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESCc1cccc(C)c1NC(=S)N/N=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H24N4OS/c1-15-4-3-5-16(2)19(15)22-20(26)23-21-14-17-6-8-18(9-7-17)24-10-12-25-13-11-24/h3-9,14H,10-13H2,1-2H3,(H2,22,23,26)/b21-14-
InChIKeyWXGCAAPBULEHTL-STZFKDTASA-N
MW368.51 g/mol
LogP3.46
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea

1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea (PubChem CID 7930417) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
PubChem CID7930417
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESCc1cccc(C)c1NC(=S)N/N=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H24N4OS/c1-15-4-3-5-16(2)19(15)22-20(26)23-21-14-17-6-8-18(9-7-17)24-10-12-25-13-11-24/h3-9,14H,10-13H2,1-2H3,(H2,22,23,26)/b21-14-
InChIKeyWXGCAAPBULEHTL-STZFKDTASA-N
XLogP3.46
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.46
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

1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 3479357
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
1-[(1R,2S)-2-methylcyclohexyl]-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 9122070
methyl 6-[[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]carbamothioylamino]hexanoate
CID 9043037
tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
CID 2692504
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
1-(2,6-dimethylphenyl)-3-[[4-[1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]phenyl]methylideneamino]thiourea
CID 123377648
1-(2,6-dimethylphenyl)-3-[(E)-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]methylideneamino]thiourea
CID 134163736

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea (CID 7930417) is 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea is Cc1cccc(C)c1NC(=S)N/N=C\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The InChIKey is WXGCAAPBULEHTL-STZFKDTASA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-4-3-5-16(2)19(15)22-20(26)23-21-14-17-6-8-18(9-7-17)24-10-12-25-13-11-24/h3-9,14H,10-13H2,1-2H3,(H2,22,23,26)/b21-14-.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea has a molecular weight of 368.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 7930417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).