1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea

C11H16N4S — CID 7728946

IUPAC1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N4S/c1-12-11(16)14-13-8-9-4-6-10(7-5-9)15(2)3/h4-8H,1-3H3,(H2,12,14,16)/b13-8+
InChIKeyQUJRUAPPSQNJPM-MDWZMJQESA-N
MW236.34 g/mol
LogP1.18
Rot. Bonds3

About 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea

1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea (PubChem CID 7728946) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea
PubChem CID7728946
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N4S/c1-12-11(16)14-13-8-9-4-6-10(7-5-9)15(2)3/h4-8H,1-3H3,(H2,12,14,16)/b13-8+
InChIKeyQUJRUAPPSQNJPM-MDWZMJQESA-N
XLogP1.18
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.18
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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Related Compounds

Amithiozone
CID 9568512
1-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-3-(3-methoxypropyl)thiourea
CID 5939421
4-(Dimethylamino)benzaldehyde thiosemicarbazone
CID 6436743
4-(Dimethylamino)benzaldehyde N-phenylthiosemicarbazone
CID 6862754
4-Aminobenzaldehyde thiosemicarbazone
CID 5354795
4'-Formylacetanilide Thiosemicarbazone
CID 2733749
1-(2-methylprop-2-enyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 5946402
N-[4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
CID 6003139
N-[4-[(E)-(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
CID 6903250
1-[(E)-(3,4-difluorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
CID 6904122
4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
CID 6858627
4-[[4-(diethylamino)benzylidene]amino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one
CID 6858457

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea?
The IUPAC name of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea (CID 7728946) is 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea.
What is the SMILES notation for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea?
The canonical SMILES for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea is CNC(=S)N/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea?
The InChIKey is QUJRUAPPSQNJPM-MDWZMJQESA-N. The full InChI is InChI=1S/C11H16N4S/c1-12-11(16)14-13-8-9-4-6-10(7-5-9)15(2)3/h4-8H,1-3H3,(H2,12,14,16)/b13-8+.
What are the key properties of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea?
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea has a molecular weight of 236.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylthiourea is sourced from PubChem (CID 7728946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).