ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate

C15H18N2O3S — CID 61012902

IUPACethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C15H18N2O3S/c1-3-7-17(9-14(18)20-4-2)15(19)11-5-6-12-13(8-11)21-10-16-12/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyLGSVMZGFQJOBNX-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.71
Rot. Bonds6

About ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate

ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate (PubChem CID 61012902) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate
PubChem CID61012902
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C15H18N2O3S/c1-3-7-17(9-14(18)20-4-2)15(19)11-5-6-12-13(8-11)21-10-16-12/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyLGSVMZGFQJOBNX-UHFFFAOYSA-N
XLogP2.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetic acid
CID 61013428
N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901
N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60653832
2-[1,3-benzothiazole-6-carbonyl(carboxymethyl)amino]acetic acid
CID 63651903
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165
ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)-propylamino]acetate
CID 78902105
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
ethyl 2-[1,3-benzothiazol-6-yl(cyclohexanecarbonyl)amino]acetate
CID 20871843
ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
2-[1,3-benzothiazole-6-carbonyl(propan-2-yl)amino]acetic acid
CID 60832571

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate (CID 61012902) is ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate is CCCN(CC(=O)OCC)C(=O)c1ccc2ncsc2c1.
What is the InChIKey of ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate?
The InChIKey is LGSVMZGFQJOBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-7-17(9-14(18)20-4-2)15(19)11-5-6-12-13(8-11)21-10-16-12/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate?
ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate has a molecular weight of 306.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate is sourced from PubChem (CID 61012902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).