2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol

C15H12N2OS — CID 671061

IUPAC2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
SMILESCc1nc2ccc(/N=C/c3ccccc3O)cc2s1
InChIInChI=1S/C15H12N2OS/c1-10-17-13-7-6-12(8-15(13)19-10)16-9-11-4-2-3-5-14(11)18/h2-9,18H,1H3/b16-9+
InChIKeyUQJZBCPKHYMLLY-CXUHLZMHSA-N
MW268.34 g/mol
LogP4.06
Rot. Bonds2

About 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol

2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol (PubChem CID 671061) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
PubChem CID671061
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
SMILESCc1nc2ccc(/N=C/c3ccccc3O)cc2s1
InChIInChI=1S/C15H12N2OS/c1-10-17-13-7-6-12(8-15(13)19-10)16-9-11-4-2-3-5-14(11)18/h2-9,18H,1H3/b16-9+
InChIKeyUQJZBCPKHYMLLY-CXUHLZMHSA-N
XLogP4.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 1035131
6-hydroxy-5-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135777540
2-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]iminomethyl]phenol
CID 3674145
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
(2S)-2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 136778268
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
methyl 2-[(2-hydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxylate
CID 787707
2-[[6-[(2-hydroxyphenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 136832413
2-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]iminomethyl]-6-iodophenol
CID 5074919
2-(1,3-benzothiazol-2-yl)-4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenol
CID 614800
2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol
CID 135470120

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol?
The IUPAC name of 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol (CID 671061) is 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol is Cc1nc2ccc(/N=C/c3ccccc3O)cc2s1.
What is the InChIKey of 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol?
The InChIKey is UQJZBCPKHYMLLY-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-17-13-7-6-12(8-15(13)19-10)16-9-11-4-2-3-5-14(11)18/h2-9,18H,1H3/b16-9+.
What are the key properties of 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol?
2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol has a molecular weight of 268.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-benzothiazol-6-yl)iminomethyl]phenol is sourced from PubChem (CID 671061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).