4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride

C15H20ClN3O2S — CID 119264694

IUPAC4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCOc1ccc(-c2nc(NC(=O)CCCN)sc2C)cc1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-14(11-5-7-12(20-2)8-6-11)18-15(21-10)17-13(19)4-3-9-16;/h5-8H,3-4,9,16H2,1-2H3,(H,17,18,19);1H
InChIKeyXUEZHGYJJHRWEF-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.23
Rot. Bonds6

About 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride

4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride (PubChem CID 119264694) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
PubChem CID119264694
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCOc1ccc(-c2nc(NC(=O)CCCN)sc2C)cc1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-14(11-5-7-12(20-2)8-6-11)18-15(21-10)17-13(19)4-3-9-16;/h5-8H,3-4,9,16H2,1-2H3,(H,17,18,19);1H
InChIKeyXUEZHGYJJHRWEF-UHFFFAOYSA-N
XLogP3.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide
CID 143593087
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
3-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 112763459
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741
3-amino-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-1,3-thiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride (CID 119264694) is 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride is COc1ccc(-c2nc(NC(=O)CCCN)sc2C)cc1.Cl.
What is the InChIKey of 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride?
The InChIKey is XUEZHGYJJHRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-10-14(11-5-7-12(20-2)8-6-11)18-15(21-10)17-13(19)4-3-9-16;/h5-8H,3-4,9,16H2,1-2H3,(H,17,18,19);1H.
What are the key properties of 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride?
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119264694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).