2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C17H23Cl3N4O2S — CID 119875168

IUPAC2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)cs1
InChIInChI=1S/C17H21ClN4O2S.2ClH/c18-13-3-1-2-12(8-13)15(22-4-6-24-7-5-22)10-20-17(23)14-11-25-16(9-19)21-14;;/h1-3,8,11,15H,4-7,9-10,19H2,(H,20,23);2*1H
InChIKeyNZQIINLTAWMDRM-UHFFFAOYSA-N
MW453.82 g/mol
LogP2.90
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119875168) has the molecular formula C17H23Cl3N4O2S and a molecular weight of 453.82 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119875168
Molecular FormulaC17H23Cl3N4O2S
Molecular Weight453.82 g/mol
Exact Mass452.06
IUPAC Name2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)cs1
InChIInChI=1S/C17H21ClN4O2S.2ClH/c18-13-3-1-2-12(8-13)15(22-4-6-24-7-5-22)10-20-17(23)14-11-25-16(9-19)21-14;;/h1-3,8,11,15H,4-7,9-10,19H2,(H,20,23);2*1H
InChIKeyNZQIINLTAWMDRM-UHFFFAOYSA-N
XLogP2.90
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119829208
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120644919
2-(2-aminoethyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120639799
2-(aminomethyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 119866500
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55659916
7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119875126
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 50754305
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86882802
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119875168) is 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCc1nc(C(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is NZQIINLTAWMDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S.2ClH/c18-13-3-1-2-12(8-13)15(22-4-6-24-7-5-22)10-20-17(23)14-11-25-16(9-19)21-14;;/h1-3,8,11,15H,4-7,9-10,19H2,(H,20,23);2*1H.
What are the key properties of 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 453.82 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119875168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).