2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride

C18H26Cl2N4O2S — CID 119840435

IUPAC2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
SMILESCC1CN(Cc2csc(NC(=O)Cc3ccc(N)cc3)n2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H24N4O2S.2ClH/c1-12-8-22(9-13(2)24-12)10-16-11-25-18(20-16)21-17(23)7-14-3-5-15(19)6-4-14;;/h3-6,11-13H,7-10,19H2,1-2H3,(H,20,21,23);2*1H
InChIKeyHKASZHCZJOBMFA-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride (PubChem CID 119840435) has the molecular formula C18H26Cl2N4O2S and a molecular weight of 433.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
PubChem CID119840435
Molecular FormulaC18H26Cl2N4O2S
Molecular Weight433.41 g/mol
Exact Mass432.12
IUPAC Name2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
SMILESCC1CN(Cc2csc(NC(=O)Cc3ccc(N)cc3)n2)CC(C)O1.Cl.Cl
InChIInChI=1S/C18H24N4O2S.2ClH/c1-12-8-22(9-13(2)24-12)10-16-11-25-18(20-16)21-17(23)7-14-3-5-15(19)6-4-14;;/h3-6,11-13H,7-10,19H2,1-2H3,(H,20,21,23);2*1H
InChIKeyHKASZHCZJOBMFA-UHFFFAOYSA-N
XLogP3.36
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840487
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 30199953
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 30199949
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide;dihydrochloride
CID 119840433

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride (CID 119840435) is 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride is CC1CN(Cc2csc(NC(=O)Cc3ccc(N)cc3)n2)CC(C)O1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The InChIKey is HKASZHCZJOBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.2ClH/c1-12-8-22(9-13(2)24-12)10-16-11-25-18(20-16)21-17(23)7-14-3-5-15(19)6-4-14;;/h3-6,11-13H,7-10,19H2,1-2H3,(H,20,21,23);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride has a molecular weight of 433.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119840435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).