2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol

C14H12Cl2N2OS — CID 135799813

IUPAC2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1nc2c(s1)CCCC2
InChIInChI=1S/C14H12Cl2N2OS/c15-9-5-8(13(19)10(16)6-9)7-17-14-18-11-3-1-2-4-12(11)20-14/h5-7,19H,1-4H2/b17-7+
InChIKeyJMJQKTMGJVWIEV-REZTVBANSA-N
MW327.24 g/mol
LogP4.78
Rot. Bonds2

About 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol

2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol (PubChem CID 135799813) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol
PubChem CID135799813
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1nc2c(s1)CCCC2
InChIInChI=1S/C14H12Cl2N2OS/c15-9-5-8(13(19)10(16)6-9)7-17-14-18-11-3-1-2-4-12(11)20-14/h5-7,19H,1-4H2/b17-7+
InChIKeyJMJQKTMGJVWIEV-REZTVBANSA-N
XLogP4.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.78
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

2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
(E)-1-anthracen-9-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanimine
CID 21239629
2,4-dichloro-6-[(E)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol
CID 135437719
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091
2,4-dichloro-6-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
CID 1041589
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 3844179
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol (CID 135799813) is 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1nc2c(s1)CCCC2.
What is the InChIKey of 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol?
The InChIKey is JMJQKTMGJVWIEV-REZTVBANSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c15-9-5-8(13(19)10(16)6-9)7-17-14-18-11-3-1-2-4-12(11)20-14/h5-7,19H,1-4H2/b17-7+.
What are the key properties of 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol?
2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol has a molecular weight of 327.24 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135799813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).