2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride

C20H25ClN4O2S — CID 119767662

IUPAC2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C20H24N4O2S.ClH/c1-24(20(25)18-14-27-19(13-21)22-18)11-7-3-6-10-16-12-17(23-26-16)15-8-4-2-5-9-15;/h2,4-5,8-9,12,14H,3,6-7,10-11,13,21H2,1H3;1H
InChIKeyZDQADWPHZKEVRM-UHFFFAOYSA-N
MW420.97 g/mol
LogP4.16
Rot. Bonds9

About 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119767662) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119767662
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC Name2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C20H24N4O2S.ClH/c1-24(20(25)18-14-27-19(13-21)22-18)11-7-3-6-10-16-12-17(23-26-16)15-8-4-2-5-9-15;/h2,4-5,8-9,12,14H,3,6-7,10-11,13,21H2,1H3;1H
InChIKeyZDQADWPHZKEVRM-UHFFFAOYSA-N
XLogP4.16
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
CID 120791531
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
CID 119314286
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide
CID 119308944
3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
CID 120610036
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 107202129
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
methyl 4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-methylamino]butanoate
CID 66377077
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
CID 119314301
2-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119739739
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119767662) is 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride is CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ZDQADWPHZKEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S.ClH/c1-24(20(25)18-14-27-19(13-21)22-18)11-7-3-6-10-16-12-17(23-26-16)15-8-4-2-5-9-15;/h2,4-5,8-9,12,14H,3,6-7,10-11,13,21H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 420.97 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119767662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).