1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea

C19H20N6S — CID 2017668

IUPAC1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c1
InChIInChI=1S/C19H20N6S/c1-11-5-4-6-14(9-11)22-19(26)25-17(20)24-18-21-13(3)15-10-12(2)7-8-16(15)23-18/h4-10H,1-3H3,(H4,20,21,22,23,24,25,26)
InChIKeySZEAPMQKQDLLFN-UHFFFAOYSA-N
MW364.48 g/mol
LogP3.68
Rot. Bonds2

About 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea

1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea (PubChem CID 2017668) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea
PubChem CID2017668
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c1
InChIInChI=1S/C19H20N6S/c1-11-5-4-6-14(9-11)22-19(26)25-17(20)24-18-21-13(3)15-10-12(2)7-8-16(15)23-18/h4-10H,1-3H3,(H4,20,21,22,23,24,25,26)
InChIKeySZEAPMQKQDLLFN-UHFFFAOYSA-N
XLogP3.68
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[amino-[(6-ethoxy-4-methylquinazolin-2-yl)amino]methylidene]-[(3-methoxyphenyl)carbamothioyl]azanium
CID 2012445
2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine
CID 6341571
1-methyl-3-[(3-methylanilino)-phenylmethylidene]thiourea
CID 125466323
2-(3-methylanilino)-2-sulfanylideneacetamide
CID 17385629
bis(2-[1-[[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]amino]ethyl]benzoic acid);1-(4,6-dimethylquinazolin-2-yl)-2-[1-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 160782141
N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide
CID 135447204
N-[N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylphenyl)carbamimidoyl]carbamimidoyl]benzamide
CID 135533941
(1E)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198
(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid
CID 68518581
N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
CID 169358288
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
1-anilino-3-(3-methylphenyl)thiourea
CID 8619974

Frequently Asked Questions

What is the IUPAC name of 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea (CID 2017668) is 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea is Cc1cccc(NC(=S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c1.
What is the InChIKey of 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea?
The InChIKey is SZEAPMQKQDLLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-11-5-4-6-14(9-11)22-19(26)25-17(20)24-18-21-13(3)15-10-12(2)7-8-16(15)23-18/h4-10H,1-3H3,(H4,20,21,22,23,24,25,26).
What are the key properties of 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea?
1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea has a molecular weight of 364.48 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 2017668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).