5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one

C15H15N5OS — CID 136618851

IUPAC5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1\NC(=O)C(=Cc2ccc3ncnc(N(C)C)c3c2)S1
InChIInChI=1S/C15H15N5OS/c1-16-15-19-14(21)12(22-15)7-9-4-5-11-10(6-9)13(20(2)3)18-8-17-11/h4-8H,1-3H3,(H,16,19,21)
InChIKeyLXBDFRXPQQKMHN-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.89
Rot. Bonds2

About 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one

5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 136618851) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
PubChem CID136618851
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1\NC(=O)C(=Cc2ccc3ncnc(N(C)C)c3c2)S1
InChIInChI=1S/C15H15N5OS/c1-16-15-19-14(21)12(22-15)7-9-4-5-11-10(6-9)13(20(2)3)18-8-17-11/h4-8H,1-3H3,(H,16,19,21)
InChIKeyLXBDFRXPQQKMHN-UHFFFAOYSA-N
XLogP1.89
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(2,6-dichlorophenyl)imino-5-[[4-(dimethylamino)quinolin-6-yl]methylidene]-1,3-thiazolidin-4-one
CID 135435341
(5Z)-5-[(4-phenylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11616947
(5E)-5-[(4-thiophen-3-ylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 25212143
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methylimino-1,3-thiazolidin-4-one
CID 135984028
5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74430618
(2E,5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135648181
sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride
CID 173098108
5-(quinazolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 141171084
tert-butyl N-[5-[[4-(2-methoxyethoxy)quinolin-6-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
CID 136647824
5-[[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 161181285
(5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
CID 135467081
5-[(4-ethoxyquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 76839177

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one (CID 136618851) is 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one is C/N=C1\NC(=O)C(=Cc2ccc3ncnc(N(C)C)c3c2)S1.
What is the InChIKey of 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is LXBDFRXPQQKMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-16-15-19-14(21)12(22-15)7-9-4-5-11-10(6-9)13(20(2)3)18-8-17-11/h4-8H,1-3H3,(H,16,19,21).
What are the key properties of 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one?
5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 313.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)quinazolin-6-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136618851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).