1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea

C14H12N2O4S — CID 10040708

IUPAC1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea
SMILESCNC(=S)Nc1c2occc2c(O)c2c(=O)cc(C)oc12
InChIInChI=1S/C14H12N2O4S/c1-6-5-8(17)9-11(18)7-3-4-19-12(7)10(13(9)20-6)16-14(21)15-2/h3-5,18H,1-2H3,(H2,15,16,21)
InChIKeyHZFPHQBWEHEIAH-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.47
Rot. Bonds1

About 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea

1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea (PubChem CID 10040708) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea.

Molecular Properties

Compound Name1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea
PubChem CID10040708
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea
SMILESCNC(=S)Nc1c2occc2c(O)c2c(=O)cc(C)oc12
InChIInChI=1S/C14H12N2O4S/c1-6-5-8(17)9-11(18)7-3-4-19-12(7)10(13(9)20-6)16-14(21)15-2/h3-5,18H,1-2H3,(H2,15,16,21)
InChIKeyHZFPHQBWEHEIAH-UHFFFAOYSA-N
XLogP2.47
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea 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

1-ethyl-3-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)thiourea
CID 10403582
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
CID 143290579
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
4-hydroxy-7-methyl-9-[[4-(trifluoromethoxy)phenyl]methoxy]furo[3,2-g]chromen-5-one
CID 11509693
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;4-hydroxy-7,9-dimethylfuro[3,2-g]chromen-5-one;1-(6-hydroxy-4-methoxy-7-methyl-1-benzofuran-5-yl)ethanone;4-methoxy-7,9-dimethylfuro[3,2-g]chromen-5-one
CID 160707353
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione
CID 42631475
4-methoxy-N-[2-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]ethyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
CID 16737253
1-[(E)-(8-bromo-7-hydroxy-5-methoxy-2-methyl-4-oxochromen-6-yl)methylideneamino]-3-(4-fluorophenyl)thiourea
CID 135894441
5-hydroxy-2,6-dimethylchromen-4-one
CID 170989896
4-methoxy-N-[4-[(4-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)sulfonylamino]butyl]-7-methyl-5-oxofuro[3,2-g]chromene-9-sulfonamide
CID 16737481
4-methoxy-7-methyl-9-[2-(2,3,5,6-tetrafluorophenoxy)ethoxy]furo[3,2-g]chromen-5-one
CID 11848275

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea?
The IUPAC name of 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea (CID 10040708) is 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea.
What is the SMILES notation for 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea?
The canonical SMILES for 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea is CNC(=S)Nc1c2occc2c(O)c2c(=O)cc(C)oc12.
What is the InChIKey of 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea?
The InChIKey is HZFPHQBWEHEIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-6-5-8(17)9-11(18)7-3-4-19-12(7)10(13(9)20-6)16-14(21)15-2/h3-5,18H,1-2H3,(H2,15,16,21).
What are the key properties of 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea?
1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea has a molecular weight of 304.33 g/mol, XLogP of 2.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)-3-methylthiourea is sourced from PubChem (CID 10040708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).