2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C18H22ClN3O3S — CID 120618711

IUPAC2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOc1cccc2cc(C(C)NC(=O)c3csc(CCN)n3)oc12.Cl
InChIInChI=1S/C18H21N3O3S.ClH/c1-3-23-14-6-4-5-12-9-15(24-17(12)14)11(2)20-18(22)13-10-25-16(21-13)7-8-19;/h4-6,9-11H,3,7-8,19H2,1-2H3,(H,20,22);1H
InChIKeyMVIYFSMNDDHQBI-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.70
Rot. Bonds7

About 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120618711) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120618711
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOc1cccc2cc(C(C)NC(=O)c3csc(CCN)n3)oc12.Cl
InChIInChI=1S/C18H21N3O3S.ClH/c1-3-23-14-6-4-5-12-9-15(24-17(12)14)11(2)20-18(22)13-10-25-16(21-13)7-8-19;/h4-6,9-11H,3,7-8,19H2,1-2H3,(H,20,22);1H
InChIKeyMVIYFSMNDDHQBI-UHFFFAOYSA-N
XLogP3.70
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55633376
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
2-(2-aminoethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120623141
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841700
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120618711) is 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is CCOc1cccc2cc(C(C)NC(=O)c3csc(CCN)n3)oc12.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is MVIYFSMNDDHQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.ClH/c1-3-23-14-6-4-5-12-9-15(24-17(12)14)11(2)20-18(22)13-10-25-16(21-13)7-8-19;/h4-6,9-11H,3,7-8,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 395.91 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).