methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate

C15H15NO3S — CID 135522568

IUPACmethyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=Cc2ccc(SC)cc2)N=C1C
InChIInChI=1S/C15H15NO3S/c1-9-13(15(18)19-2)14(17)12(16-9)8-10-4-6-11(20-3)7-5-10/h4-8,17H,1-3H3
InChIKeySEUIAVZNDKEMMD-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.21
Rot. Bonds3

About methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate

methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate (PubChem CID 135522568) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate
PubChem CID135522568
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=Cc2ccc(SC)cc2)N=C1C
InChIInChI=1S/C15H15NO3S/c1-9-13(15(18)19-2)14(17)12(16-9)8-10-4-6-11(20-3)7-5-10/h4-8,17H,1-3H3
InChIKeySEUIAVZNDKEMMD-UHFFFAOYSA-N
XLogP3.21
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate 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

methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135708694
methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate
CID 135449734
ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135516968
methyl (5E)-4-hydroxy-2-methyl-5-[(3-prop-2-enoxyphenyl)methylidene]pyrrole-3-carboxylate
CID 135438752
ethyl (5E)-4-hydroxy-5-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2-methylpyrrole-3-carboxylate
CID 135432692
methyl (5E)-4-hydroxy-2-methyl-5-[(2-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate
CID 135447333
ethyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135545596
ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate
CID 135498075
methyl 5-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135467378
methyl (4Z)-1-(3,5-dichlorophenyl)-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrrole-3-carboxylate
CID 126030395
2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one
CID 69224625
methyl (4Z)-1-(3-methoxyphenyl)-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrrole-3-carboxylate
CID 94833356

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate (CID 135522568) is methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate is COC(=O)C1=C(O)C(=Cc2ccc(SC)cc2)N=C1C.
What is the InChIKey of methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate?
The InChIKey is SEUIAVZNDKEMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-13(15(18)19-2)14(17)12(16-9)8-10-4-6-11(20-3)7-5-10/h4-8,17H,1-3H3.
What are the key properties of methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate?
methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate is sourced from PubChem (CID 135522568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).