4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride

C15H20ClN3OS — CID 120559194

IUPAC4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ncc(Cc2ccccc2)s1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-11(16)7-8-14(19)18-15-17-10-13(20-15)9-12-5-3-2-4-6-12;/h2-6,10-11H,7-9,16H2,1H3,(H,17,18,19);1H
InChIKeyOLWKALYWHQDVDM-UHFFFAOYSA-N
MW325.86 g/mol
LogP3.22
Rot. Bonds6

About 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride

4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride (PubChem CID 120559194) has the molecular formula C15H20ClN3OS and a molecular weight of 325.86 g/mol. Its IUPAC name is 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
PubChem CID120559194
Molecular FormulaC15H20ClN3OS
Molecular Weight325.86 g/mol
Exact Mass325.10
IUPAC Name4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ncc(Cc2ccccc2)s1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-11(16)7-8-14(19)18-15-17-10-13(20-15)9-12-5-3-2-4-6-12;/h2-6,10-11H,7-9,16H2,1H3,(H,17,18,19);1H
InChIKeyOLWKALYWHQDVDM-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119270233
N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide
CID 1095925
N-(5-benzyl-1,3-thiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 17459661
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylanilino)acetamide
CID 7454424
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836361
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride (CID 120559194) is 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride is CC(N)CCC(=O)Nc1ncc(Cc2ccccc2)s1.Cl.
What is the InChIKey of 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride?
The InChIKey is OLWKALYWHQDVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-11(16)7-8-14(19)18-15-17-10-13(20-15)9-12-5-3-2-4-6-12;/h2-6,10-11H,7-9,16H2,1H3,(H,17,18,19);1H.
What are the key properties of 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride?
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride has a molecular weight of 325.86 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 120559194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).