2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C18H23ClN4O4S — CID 120637855

IUPAC2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cs1
InChIInChI=1S/C18H22N4O4S.ClH/c19-6-5-16-20-14(12-27-16)18(24)21-13-3-1-2-4-15(13)26-11-17(23)22-7-9-25-10-8-22;/h1-4,12H,5-11,19H2,(H,21,24);1H
InChIKeyOQQUZVYJRVWIKA-UHFFFAOYSA-N
MW426.93 g/mol
LogP1.56
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120637855) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120637855
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC Name2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cs1
InChIInChI=1S/C18H22N4O4S.ClH/c19-6-5-16-20-14(12-27-16)18(24)21-13-3-1-2-4-15(13)26-11-17(23)22-7-9-25-10-8-22;/h1-4,12H,5-11,19H2,(H,21,24);1H
InChIKeyOQQUZVYJRVWIKA-UHFFFAOYSA-N
XLogP1.56
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120637855) is 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is OQQUZVYJRVWIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S.ClH/c19-6-5-16-20-14(12-27-16)18(24)21-13-3-1-2-4-15(13)26-11-17(23)22-7-9-25-10-8-22;/h1-4,12H,5-11,19H2,(H,21,24);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 426.93 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).