4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol

C12H13N3OS — CID 2361852

IUPAC4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESC/N=c1\scc(C)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C12H13N3OS/c1-9-8-17-12(13-2)15(9)14-7-10-3-5-11(16)6-4-10/h3-8,16H,1-2H3/b13-12-,14-7?
InChIKeyFIKBXMFWXNIKGV-AIXKQSGASA-N
MW247.32 g/mol
LogP1.98
Rot. Bonds2

About 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol

4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol (PubChem CID 2361852) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
PubChem CID2361852
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESC/N=c1\scc(C)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C12H13N3OS/c1-9-8-17-12(13-2)15(9)14-7-10-3-5-11(16)6-4-10/h3-8,16H,1-2H3/b13-12-,14-7?
InChIKeyFIKBXMFWXNIKGV-AIXKQSGASA-N
XLogP1.98
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol 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

(4E)-4-[[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)amino]methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135512407
4-[(E)-(4-methyl-2-prop-2-enylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 135520037
(4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 135512411
4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-phenol
CID 135856791
4-[[(4-Methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 135415472
(4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 135415484
2,6-dibromo-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135520011
2,6-dibromo-4-[(E)-(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135520041
4-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 136229636
4-[(E)-(4-tert-butyl-2-cyclohexylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 136229639
2-[(E)-(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135691245
2-[[4-(2-Fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 2393701

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol (CID 2361852) is 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol is C/N=c1\scc(C)n1N=Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol?
The InChIKey is FIKBXMFWXNIKGV-AIXKQSGASA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-8-17-12(13-2)15(9)14-7-10-3-5-11(16)6-4-10/h3-8,16H,1-2H3/b13-12-,14-7?.
What are the key properties of 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol?
4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol has a molecular weight of 247.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 2361852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).