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

C14H13N3OS — CID 42281697

IUPAC5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(NCc3ccccn3)nc2c1
InChIInChI=1S/C14H13N3OS/c1-18-11-5-6-13-12(8-11)17-14(19-13)16-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyFMIJYSFQLJIVOO-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.31
Rot. Bonds4

About 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine

5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 42281697) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID42281697
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(NCc3ccccn3)nc2c1
InChIInChI=1S/C14H13N3OS/c1-18-11-5-6-13-12(8-11)17-14(19-13)16-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyFMIJYSFQLJIVOO-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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Related Compounds

N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
CID 45077219
7-methoxy-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003056
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
6-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518208
N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 40700357
5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde
CID 152554921
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
2,5-dimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 16849186
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine (CID 42281697) is 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine is COc1ccc2sc(NCc3ccccn3)nc2c1.
What is the InChIKey of 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is FMIJYSFQLJIVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-11-5-6-13-12(8-11)17-14(19-13)16-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
5-methoxy-N-(pyridin-2-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 5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 42281697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).