2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol

C11H8N2O2S2 — CID 136716732

IUPAC2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol
SMILESCOc1csc(-c2nc3ccc(O)cc3s2)n1
InChIInChI=1S/C11H8N2O2S2/c1-15-9-5-16-10(13-9)11-12-7-3-2-6(14)4-8(7)17-11/h2-5,14H,1H3
InChIKeyCOODLOJFFYBSQY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.13
Rot. Bonds2

About 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol

2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol (PubChem CID 136716732) has the molecular formula C11H8N2O2S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol
PubChem CID136716732
Molecular FormulaC11H8N2O2S2
Molecular Weight264.33 g/mol
Exact Mass264.00
IUPAC Name2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol
SMILESCOc1csc(-c2nc3ccc(O)cc3s2)n1
InChIInChI=1S/C11H8N2O2S2/c1-15-9-5-16-10(13-9)11-12-7-3-2-6(14)4-8(7)17-11/h2-5,14H,1H3
InChIKeyCOODLOJFFYBSQY-UHFFFAOYSA-N
XLogP3.13
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
CID 58138527
3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136751643
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
methyl (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-4H-1,3-thiazole-4-carboxylate
CID 177484309
ethyl 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxylate
CID 132544425
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone
CID 153243627
2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
CID 146253215
4-(1,3-benzothiazol-2-yl)-2-[5-(1,3-benzothiazol-2-yl)-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 135767121
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805
2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol
CID 136746012

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol (CID 136716732) is 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol is COc1csc(-c2nc3ccc(O)cc3s2)n1.
What is the InChIKey of 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol?
The InChIKey is COODLOJFFYBSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S2/c1-15-9-5-16-10(13-9)11-12-7-3-2-6(14)4-8(7)17-11/h2-5,14H,1H3.
What are the key properties of 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol?
2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol has a molecular weight of 264.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 136716732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).