6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine

C13H13N3OS2 — CID 115924915

IUPAC6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3cncs3)sc2c1
InChIInChI=1S/C13H13N3OS2/c1-2-17-9-3-4-11-12(5-9)19-13(16-11)15-7-10-6-14-8-18-10/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyJSCIEYZHCXIJIS-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.76
Rot. Bonds5

About 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine

6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 115924915) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID115924915
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3cncs3)sc2c1
InChIInChI=1S/C13H13N3OS2/c1-2-17-9-3-4-11-12(5-9)19-13(16-11)15-7-10-6-14-8-18-10/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyJSCIEYZHCXIJIS-UHFFFAOYSA-N
XLogP3.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 106419902
6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518059
6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 146133997
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79516074
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine (CID 115924915) is 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NCc3cncs3)sc2c1.
What is the InChIKey of 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is JSCIEYZHCXIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-2-17-9-3-4-11-12(5-9)19-13(16-11)15-7-10-6-14-8-18-10/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 115924915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).