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

C13H18N2O2S — CID 63686878

IUPAC2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine
SMILESCCCOCCOc1cc2nc(C)sc2cc1N
InChIInChI=1S/C13H18N2O2S/c1-3-4-16-5-6-17-12-8-11-13(7-10(12)14)18-9(2)15-11/h7-8H,3-6,14H2,1-2H3
InChIKeyCYNLZLVMMRUDEB-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.99
Rot. Bonds6

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

2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine (PubChem CID 63686878) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine
PubChem CID63686878
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine
SMILESCCCOCCOc1cc2nc(C)sc2cc1N
InChIInChI=1S/C13H18N2O2S/c1-3-4-16-5-6-17-12-8-11-13(7-10(12)14)18-9(2)15-11/h7-8H,3-6,14H2,1-2H3
InChIKeyCYNLZLVMMRUDEB-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-heptoxy-2-methyl-1,3-benzothiazol-6-amine
CID 43450718
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
CID 43450717
5-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzothiazol-6-amine
CID 82827800
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450646
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 54966656
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
5-(4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450665
5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450725
2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
CID 43382999
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
5-N,5-N-dibutyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine (CID 63686878) is 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine is CCCOCCOc1cc2nc(C)sc2cc1N.
What is the InChIKey of 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine?
The InChIKey is CYNLZLVMMRUDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-4-16-5-6-17-12-8-11-13(7-10(12)14)18-9(2)15-11/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine?
2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine has a molecular weight of 266.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 63686878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).