4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol

C15H13ClN2O2S — CID 43674733

IUPAC4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2c(Cl)ccc3scnc23)ccc1O
InChIInChI=1S/C15H13ClN2O2S/c1-20-12-6-9(2-4-11(12)19)7-17-14-10(16)3-5-13-15(14)18-8-21-13/h2-6,8,17,19H,7H2,1H3
InChIKeyBKLSTOWGQLWZBE-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.28
Rot. Bonds4

About 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol

4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol (PubChem CID 43674733) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol
PubChem CID43674733
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2c(Cl)ccc3scnc23)ccc1O
InChIInChI=1S/C15H13ClN2O2S/c1-20-12-6-9(2-4-11(12)19)7-17-14-10(16)3-5-13-15(14)18-8-21-13/h2-6,8,17,19H,7H2,1H3
InChIKeyBKLSTOWGQLWZBE-UHFFFAOYSA-N
XLogP4.28
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 106816279
2-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-5-methoxyphenol
CID 61262504
N-[(4-bromo-3-methylphenyl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 66473596
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 63427985
5-chloro-N-[(3-nitrophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674697
methyl 5-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-1H-pyrrole-2-carboxylate
CID 79407021
5-chloro-N-[(2,4,6-trimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674748
2-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-6-methylphenol
CID 115951090
4-[(3,5-dichloro-4-fluoroanilino)methyl]-2-methoxyphenol
CID 107572501
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
CID 61171394
5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674721

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol (CID 43674733) is 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol is COc1cc(CNc2c(Cl)ccc3scnc23)ccc1O.
What is the InChIKey of 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is BKLSTOWGQLWZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-20-12-6-9(2-4-11(12)19)7-17-14-10(16)3-5-13-15(14)18-8-21-13/h2-6,8,17,19H,7H2,1H3.
What are the key properties of 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol?
4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 320.80 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloro-1,3-benzothiazol-4-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 43674733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).