6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine

C14H13N3OS — CID 834526

IUPAC6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCc3cccnc3)sc2c1
InChIInChI=1S/C14H13N3OS/c1-18-11-4-5-12-13(7-11)19-14(17-12)16-9-10-3-2-6-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyDSICKTQWQGVROG-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.31
Rot. Bonds4

About 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine

6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 834526) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID834526
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCc3cccnc3)sc2c1
InChIInChI=1S/C14H13N3OS/c1-18-11-4-5-12-13(7-11)19-14(17-12)16-9-10-3-2-6-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyDSICKTQWQGVROG-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine (CID 834526) is 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine is COc1ccc2nc(NCc3cccnc3)sc2c1.
What is the InChIKey of 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is DSICKTQWQGVROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-11-4-5-12-13(7-11)19-14(17-12)16-9-10-3-2-6-15-8-10/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 834526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).