4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride

C15H20ClN3OS — CID 119726944

IUPAC4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1csc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-16-9-5-8-14(19)17-10-13-11-20-15(18-13)12-6-3-2-4-7-12;/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,17,19);1H
InChIKeyOGAIIAACPUCFKG-UHFFFAOYSA-N
MW325.86 g/mol
LogP2.85
Rot. Bonds7

About 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride

4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride (PubChem CID 119726944) has the molecular formula C15H20ClN3OS and a molecular weight of 325.86 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
PubChem CID119726944
Molecular FormulaC15H20ClN3OS
Molecular Weight325.86 g/mol
Exact Mass325.10
IUPAC Name4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1csc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-16-9-5-8-14(19)17-10-13-11-20-15(18-13)12-6-3-2-4-7-12;/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,17,19);1H
InChIKeyOGAIIAACPUCFKG-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749242
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
CID 119882244
4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 120588959
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108
7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
CID 119681392
5-oxo-5-phenyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749073
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide
CID 119900109
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108810268
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 43050602

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride (CID 119726944) is 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride is CNCCCC(=O)NCc1csc(-c2ccccc2)n1.Cl.
What is the InChIKey of 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride?
The InChIKey is OGAIIAACPUCFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-16-9-5-8-14(19)17-10-13-11-20-15(18-13)12-6-3-2-4-7-12;/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,17,19);1H.
What are the key properties of 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride?
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride has a molecular weight of 325.86 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119726944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).