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

C17H24Cl2N4O2S — CID 119835012

IUPAC2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C17H22N4O2S.2ClH/c18-9-16-20-15(12-24-16)17(22)19-10-13-1-3-14(4-2-13)11-21-5-7-23-8-6-21;;/h1-4,12H,5-11,18H2,(H,19,22);2*1H
InChIKeyLHGGVABUVVQKMW-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.21
Rot. Bonds6

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

2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119835012) has the molecular formula C17H24Cl2N4O2S and a molecular weight of 419.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119835012
Molecular FormulaC17H24Cl2N4O2S
Molecular Weight419.38 g/mol
Exact Mass418.10
IUPAC Name2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C17H22N4O2S.2ClH/c18-9-16-20-15(12-24-16)17(22)19-10-13-1-3-14(4-2-13)11-21-5-7-23-8-6-21;;/h1-4,12H,5-11,18H2,(H,19,22);2*1H
InChIKeyLHGGVABUVVQKMW-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119690150
2-(aminomethyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 119872753
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120644858
2-(2-aminoethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641597
5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 78868141
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
2-(aminomethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119829208
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641687
2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119875168

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119835012) is 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCc1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is LHGGVABUVVQKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.2ClH/c18-9-16-20-15(12-24-16)17(22)19-10-13-1-3-14(4-2-13)11-21-5-7-23-8-6-21;;/h1-4,12H,5-11,18H2,(H,19,22);2*1H.
What are the key properties of 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 419.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119835012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).