2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C17H24Cl2N4O2S — CID 120644858

IUPAC2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)Nc2ccccc2CN2CCOCC2)cs1
InChIInChI=1S/C17H22N4O2S.2ClH/c18-6-5-16-19-15(12-24-16)17(22)20-14-4-2-1-3-13(14)11-21-7-9-23-10-8-21;;/h1-4,12H,5-11,18H2,(H,20,22);2*1H
InChIKeyOMWCHFBYMXMJPP-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.57
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120644858) has the molecular formula C17H24Cl2N4O2S and a molecular weight of 419.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120644858
Molecular FormulaC17H24Cl2N4O2S
Molecular Weight419.38 g/mol
Exact Mass418.10
IUPAC Name2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)Nc2ccccc2CN2CCOCC2)cs1
InChIInChI=1S/C17H22N4O2S.2ClH/c18-6-5-16-19-15(12-24-16)17(22)20-14-4-2-1-3-13(14)11-21-7-9-23-10-8-21;;/h1-4,12H,5-11,18H2,(H,20,22);2*1H
InChIKeyOMWCHFBYMXMJPP-UHFFFAOYSA-N
XLogP2.57
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119852920
2-(2-aminoethyl)-N-[2-(azepan-1-yl)phenyl]-1,3-thiazole-4-carboxamide
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2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
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2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
2-(2-aminoethyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
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2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
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4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 166295875
2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621704
2-(2-aminoethyl)-N-[(4-benzylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120644858) is 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCCc1nc(C(=O)Nc2ccccc2CN2CCOCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is OMWCHFBYMXMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.2ClH/c18-6-5-16-19-15(12-24-16)17(22)20-14-4-2-1-3-13(14)11-21-7-9-23-10-8-21;;/h1-4,12H,5-11,18H2,(H,20,22);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 419.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120644858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).