2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine

C13H12N2OS2 — CID 54966656

IUPAC2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(OCc3cccs3)c(N)cc2s1
InChIInChI=1S/C13H12N2OS2/c1-8-15-11-6-12(10(14)5-13(11)18-8)16-7-9-3-2-4-17-9/h2-6H,7,14H2,1H3
InChIKeyINTVJYWUDAXFLY-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine

2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine (PubChem CID 54966656) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
PubChem CID54966656
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(OCc3cccs3)c(N)cc2s1
InChIInChI=1S/C13H12N2OS2/c1-8-15-11-6-12(10(14)5-13(11)18-8)16-7-9-3-2-4-17-9/h2-6H,7,14H2,1H3
InChIKeyINTVJYWUDAXFLY-UHFFFAOYSA-N
XLogP3.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzothiazol-6-amine
CID 82827800
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
CID 43450717
2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine
CID 43450475
5-heptoxy-2-methyl-1,3-benzothiazol-6-amine
CID 43450718
2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine
CID 63686878
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450646
2-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872816
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
CID 43382999
5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450725
5-(4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine (CID 54966656) is 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine is Cc1nc2cc(OCc3cccs3)c(N)cc2s1.
What is the InChIKey of 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine?
The InChIKey is INTVJYWUDAXFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-8-15-11-6-12(10(14)5-13(11)18-8)16-7-9-3-2-4-17-9/h2-6H,7,14H2,1H3.
What are the key properties of 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine?
2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine has a molecular weight of 276.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 54966656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).