5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C14H13N5O3S — CID 135544675

IUPAC5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/Nc2nc3ccccc3s2)c(=O)n(C)c1=O
InChIInChI=1S/C14H13N5O3S/c1-18-11(20)8(12(21)19(2)14(18)22)7-15-17-13-16-9-5-3-4-6-10(9)23-13/h3-7,20H,1-2H3,(H,16,17)/b15-7+
InChIKeyLKDZBRGEFAJBAW-VIZOYTHASA-N
MW331.36 g/mol
LogP0.85
Rot. Bonds3

About 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135544675) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135544675
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/Nc2nc3ccccc3s2)c(=O)n(C)c1=O
InChIInChI=1S/C14H13N5O3S/c1-18-11(20)8(12(21)19(2)14(18)22)7-15-17-13-16-9-5-3-4-6-10(9)23-13/h3-7,20H,1-2H3,(H,16,17)/b15-7+
InChIKeyLKDZBRGEFAJBAW-VIZOYTHASA-N
XLogP0.85
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione 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

bis(2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol);cadmium
CID 135466896
3-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-(1,3-benzothiazol-2-ylsulfanyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 4648456
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzene-1,4-diol
CID 136601880
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorophenol
CID 135630268
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-ditert-butylphenol
CID 5268843
N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 6436791
N-[(2-bromophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 4649808
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 9017119
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dibromobenzene-1,3-diol
CID 2848685
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
CID 135576406
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 136691106

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 135544675) is 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/Nc2nc3ccccc3s2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LKDZBRGEFAJBAW-VIZOYTHASA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-18-11(20)8(12(21)19(2)14(18)22)7-15-17-13-16-9-5-3-4-6-10(9)23-13/h3-7,20H,1-2H3,(H,16,17)/b15-7+.
What are the key properties of 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 331.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135544675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).