5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol

C16H17N3O2S — CID 10245183

IUPAC5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol
SMILESCNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1
InChIInChI=1S/C16H17N3O2S/c1-9-13(20)14(21-3)11(7-10-5-4-6-18-8-10)12-15(9)22-16(17-2)19-12/h4-6,8,20H,7H2,1-3H3,(H,17,19)
InChIKeyJNHYIWIYVAOFRO-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.35
Rot. Bonds4

About 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol

5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol (PubChem CID 10245183) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol
PubChem CID10245183
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol
SMILESCNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1
InChIInChI=1S/C16H17N3O2S/c1-9-13(20)14(21-3)11(7-10-5-4-6-18-8-10)12-15(9)22-16(17-2)19-12/h4-6,8,20H,7H2,1-3H3,(H,17,19)
InChIKeyJNHYIWIYVAOFRO-UHFFFAOYSA-N
XLogP3.35
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol?
The IUPAC name of 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol (CID 10245183) is 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol is CNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1.
What is the InChIKey of 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol?
The InChIKey is JNHYIWIYVAOFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-13(20)14(21-3)11(7-10-5-4-6-18-8-10)12-15(9)22-16(17-2)19-12/h4-6,8,20H,7H2,1-3H3,(H,17,19).
What are the key properties of 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol?
5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol has a molecular weight of 315.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 10245183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).