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

C14H13N3OS — CID 42281699

IUPAC4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(NCc3cccnc3)nc12
InChIInChI=1S/C14H13N3OS/c1-18-11-5-2-6-12-13(11)17-14(19-12)16-9-10-4-3-7-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyBJZMTFRANAKNTR-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.31
Rot. Bonds4

About 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine

4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 42281699) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID42281699
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(NCc3cccnc3)nc12
InChIInChI=1S/C14H13N3OS/c1-18-11-5-2-6-12-13(11)17-14(19-12)16-9-10-4-3-7-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyBJZMTFRANAKNTR-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

Analyze 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine (CID 42281699) is 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine is COc1cccc2sc(NCc3cccnc3)nc12.
What is the InChIKey of 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is BJZMTFRANAKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-11-5-2-6-12-13(11)17-14(19-12)16-9-10-4-3-7-15-8-10/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine?
4-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 4-methoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 42281699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).