6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one

C15H12N4O3S2 — CID 135657618

IUPAC6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCOc1cccc(-c2csc(/N=C/c3c(O)[nH]c(=S)[nH]c3=O)n2)c1
InChIInChI=1S/C15H12N4O3S2/c1-22-9-4-2-3-8(5-9)11-7-24-15(17-11)16-6-10-12(20)18-14(23)19-13(10)21/h2-7H,1H3,(H3,18,19,20,21,23)/b16-6+
InChIKeyMFEPJEDSFZFAEH-OMCISZLKSA-N
MW360.42 g/mol
LogP3.02
Rot. Bonds4

About 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one

6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 135657618) has the molecular formula C15H12N4O3S2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID135657618
Molecular FormulaC15H12N4O3S2
Molecular Weight360.42 g/mol
Exact Mass360.04
IUPAC Name6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCOc1cccc(-c2csc(/N=C/c3c(O)[nH]c(=S)[nH]c3=O)n2)c1
InChIInChI=1S/C15H12N4O3S2/c1-22-9-4-2-3-8(5-9)11-7-24-15(17-11)16-6-10-12(20)18-14(23)19-13(10)21/h2-7H,1H3,(H3,18,19,20,21,23)/b16-6+
InChIKeyMFEPJEDSFZFAEH-OMCISZLKSA-N
XLogP3.02
TPSA103.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one 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

6-hydroxy-5-[(E)-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135657621
5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 135893696
5-[(E)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 135657609
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2286598
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
3-(4-chlorophenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4674865
6-hydroxy-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrimidin-4-one
CID 872788
5-hydroxy-2-[[3-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]pyran-4-one
CID 141338384
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene
CID 91933282
1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine
CID 682586

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one (CID 135657618) is 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one is COc1cccc(-c2csc(/N=C/c3c(O)[nH]c(=S)[nH]c3=O)n2)c1.
What is the InChIKey of 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is MFEPJEDSFZFAEH-OMCISZLKSA-N. The full InChI is InChI=1S/C15H12N4O3S2/c1-22-9-4-2-3-8(5-9)11-7-24-15(17-11)16-6-10-12(20)18-14(23)19-13(10)21/h2-7H,1H3,(H3,18,19,20,21,23)/b16-6+.
What are the key properties of 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one?
6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 360.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 135657618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).