5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol

C15H15N3O3S — CID 11723348

IUPAC5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol
SMILESCOc1cc2nc(NCc3cccnc3)sc2c(OC)c1O
InChIInChI=1S/C15H15N3O3S/c1-20-11-6-10-14(13(21-2)12(11)19)22-15(18-10)17-8-9-4-3-5-16-7-9/h3-7,19H,8H2,1-2H3,(H,17,18)
InChIKeyAAFZJNQGJYIQOB-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.03
Rot. Bonds5

About 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol

5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol (PubChem CID 11723348) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol
PubChem CID11723348
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol
SMILESCOc1cc2nc(NCc3cccnc3)sc2c(OC)c1O
InChIInChI=1S/C15H15N3O3S/c1-20-11-6-10-14(13(21-2)12(11)19)22-15(18-10)17-8-9-4-3-5-16-7-9/h3-7,19H,8H2,1-2H3,(H,17,18)
InChIKeyAAFZJNQGJYIQOB-UHFFFAOYSA-N
XLogP3.03
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-Ethyl-5-methoxy-2-(methylamino)-4-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol
CID 10042219
N-(4-methoxyphenyl)-3-[(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methylideneamino]pyridin-2-amine
CID 137644047
3-[(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methylideneamino]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 137660003
2-Methoxy-5-{[4-(4-pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 44224449
4-(4-Pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 44224654
3-[(6-methoxy-1,3-benzothiazol-2-yl)methylideneamino]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 137639756
N-phenyl-3-[(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methylideneamino]pyridin-2-amine
CID 137642994
N-(4-fluorophenyl)-3-[(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methylideneamino]pyridin-2-amine
CID 137647464
N-(3,5-dimethoxyphenyl)-3-[(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methylideneamino]pyridin-2-amine
CID 137656140
5-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281702
5-Methoxy-7-methyl-2-(methylamino)-4-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol
CID 10245183
6-Benzyloxy-5,7-dimethoxy-2-(3-pyridylmethyl)aminobenzothiazole
CID 10069967

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol?
The IUPAC name of 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol (CID 11723348) is 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol?
The canonical SMILES for 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol is COc1cc2nc(NCc3cccnc3)sc2c(OC)c1O.
What is the InChIKey of 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol?
The InChIKey is AAFZJNQGJYIQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-20-11-6-10-14(13(21-2)12(11)19)22-15(18-10)17-8-9-4-3-5-16-7-9/h3-7,19H,8H2,1-2H3,(H,17,18).
What are the key properties of 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol?
5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol has a molecular weight of 317.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 11723348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).