6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine

C14H15N3O2S — CID 146133997

IUPAC6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3ncoc3C)sc2c1
InChIInChI=1S/C14H15N3O2S/c1-3-18-10-4-5-11-13(6-10)20-14(17-11)15-7-12-9(2)19-8-16-12/h4-6,8H,3,7H2,1-2H3,(H,15,17)
InChIKeyBLZGFTOAWGTTGR-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.60
Rot. Bonds5

About 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine

6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 146133997) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID146133997
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3ncoc3C)sc2c1
InChIInChI=1S/C14H15N3O2S/c1-3-18-10-4-5-11-13(6-10)20-14(17-11)15-7-12-9(2)19-8-16-12/h4-6,8H,3,7H2,1-2H3,(H,15,17)
InChIKeyBLZGFTOAWGTTGR-UHFFFAOYSA-N
XLogP3.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
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
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
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
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
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049323
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine (CID 146133997) is 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NCc3ncoc3C)sc2c1.
What is the InChIKey of 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is BLZGFTOAWGTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-18-10-4-5-11-13(6-10)20-14(17-11)15-7-12-9(2)19-8-16-12/h4-6,8H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine?
6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 289.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 146133997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).