4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride

C14H20ClN3O2S — CID 120558679

IUPAC4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
SMILESCCOc1ccc2nc(NC(=O)CCC(C)N)sc2c1.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-3-19-10-5-6-11-12(8-10)20-14(16-11)17-13(18)7-4-9(2)15;/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17,18);1H
InChIKeyFGGBNRDHKYCCPC-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.18
Rot. Bonds6

About 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride

4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride (PubChem CID 120558679) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
PubChem CID120558679
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
SMILESCCOc1ccc2nc(NC(=O)CCC(C)N)sc2c1.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-3-19-10-5-6-11-12(8-10)20-14(16-11)17-13(18)7-4-9(2)15;/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17,18);1H
InChIKeyFGGBNRDHKYCCPC-UHFFFAOYSA-N
XLogP3.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240
(2S)-2-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119672163
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 7926146
3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 17404886
6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide
CID 78799553

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride (CID 120558679) is 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride is CCOc1ccc2nc(NC(=O)CCC(C)N)sc2c1.Cl.
What is the InChIKey of 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride?
The InChIKey is FGGBNRDHKYCCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c1-3-19-10-5-6-11-12(8-10)20-14(16-11)17-13(18)7-4-9(2)15;/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17,18);1H.
What are the key properties of 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride?
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 120558679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).