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

C15H13N3OS2 — CID 135401264

IUPAC2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESC/N=c1\scc(-c2cccs2)n1/N=C/c1ccccc1O
InChIInChI=1S/C15H13N3OS2/c1-16-15-18(12(10-21-15)14-7-4-8-20-14)17-9-11-5-2-3-6-13(11)19/h2-10,19H,1H3/b16-15-,17-9+
InChIKeyUNNYCIADIRNASM-BULSJCKZSA-N
MW315.42 g/mol
LogP3.40
Rot. Bonds3

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

2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol (PubChem CID 135401264) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol
PubChem CID135401264
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol
SMILESC/N=c1\scc(-c2cccs2)n1/N=C/c1ccccc1O
InChIInChI=1S/C15H13N3OS2/c1-16-15-18(12(10-21-15)14-7-4-8-20-14)17-9-11-5-2-3-6-13(11)19/h2-10,19H,1H3/b16-15-,17-9+
InChIKeyUNNYCIADIRNASM-BULSJCKZSA-N
XLogP3.40
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-2,3-dihydroxy-4-[[(2-propan-2-ylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 135521622
(6E)-6-[[(2-ethylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)amino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one
CID 135401267
2-({[3-sulfanyl-5-(2-thienyl)-4H-1,2,4-triazol-4-yl]imino}methyl)benzenol
CID 135478132
(4E)-2,3-dihydroxy-4-[[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
CID 135521588
4-[(E)-[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135684468
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
2-[(E)-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135683950
4-[(2-Propan-2-ylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,2,3-triol
CID 2462186
4-[[2-(4-Fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135573770
4-[[2-(4-Fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135594272
2-[[4-(4-Fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135618844

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol (CID 135401264) is 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol is C/N=c1\scc(-c2cccs2)n1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol?
The InChIKey is UNNYCIADIRNASM-BULSJCKZSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-16-15-18(12(10-21-15)14-7-4-8-20-14)17-9-11-5-2-3-6-13(11)19/h2-10,19H,1H3/b16-15-,17-9+.
What are the key properties of 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol?
2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol has a molecular weight of 315.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 135401264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).