2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide

C14H19N3O2S — CID 79518268

IUPAC2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H19N3O2S/c1-3-7-15-13(18)9-16-14-17-11-6-5-10(19-4-2)8-12(11)20-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYQYDNZOKQOPODI-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.63
Rot. Bonds7

About 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide

2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide (PubChem CID 79518268) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
PubChem CID79518268
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H19N3O2S/c1-3-7-15-13(18)9-16-14-17-11-6-5-10(19-4-2)8-12(11)20-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYQYDNZOKQOPODI-UHFFFAOYSA-N
XLogP2.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
1-(4-bromophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
CID 110825553
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-fluorophenyl)ethanone
CID 110825428
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
potassium 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoylamino]acetate
CID 46841924
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
CID 108747722
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide
CID 78799553
N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide
CID 115356996

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide (CID 79518268) is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc2ccc(OCC)cc2s1.
What is the InChIKey of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide?
The InChIKey is YQYDNZOKQOPODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-7-15-13(18)9-16-14-17-11-6-5-10(19-4-2)8-12(11)20-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide?
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide has a molecular weight of 293.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 79518268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).