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

C15H20ClN3O2S — CID 120588959

IUPAC4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCc1csc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-20-13(8-16)7-14(19)17-9-12-10-21-15(18-12)11-5-3-2-4-6-11;/h2-6,10,13H,7-9,16H2,1H3,(H,17,19);1H
InChIKeyPSLDAUVEIRLLQU-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.21
Rot. Bonds7

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

4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride (PubChem CID 120588959) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
PubChem CID120588959
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCc1csc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-20-13(8-16)7-14(19)17-9-12-10-21-15(18-12)11-5-3-2-4-6-11;/h2-6,10,13H,7-9,16H2,1H3,(H,17,19);1H
InChIKeyPSLDAUVEIRLLQU-UHFFFAOYSA-N
XLogP2.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
4-amino-3-methoxy-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 120595004
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
CID 120590818
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802581
3-acetamido-3-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 112813036
3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
CID 119900150
4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588541
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
CID 7833140

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride (CID 120588959) is 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride is COC(CN)CC(=O)NCc1csc(-c2ccccc2)n1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride?
The InChIKey is PSLDAUVEIRLLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-20-13(8-16)7-14(19)17-9-12-10-21-15(18-12)11-5-3-2-4-6-11;/h2-6,10,13H,7-9,16H2,1H3,(H,17,19);1H.
What are the key properties of 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 120588959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).