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

C15H20ClN3O2S — CID 120587411

IUPAC4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(-c2csc(C)n2)cc1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-17-14(9-21-10)11-3-5-12(6-4-11)18-15(19)7-13(8-16)20-2;/h3-6,9,13H,7-8,16H2,1-2H3,(H,18,19);1H
InChIKeyWCJLGFNARHUEJU-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.84
Rot. Bonds6

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

4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride (PubChem CID 120587411) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
PubChem CID120587411
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(-c2csc(C)n2)cc1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-17-14(9-21-10)11-3-5-12(6-4-11)18-15(19)7-13(8-16)20-2;/h3-6,9,13H,7-8,16H2,1-2H3,(H,18,19);1H
InChIKeyWCJLGFNARHUEJU-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 106112438
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
CID 120590818
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride (CID 120587411) is 4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(-c2csc(C)n2)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The InChIKey is WCJLGFNARHUEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-10-17-14(9-21-10)11-3-5-12(6-4-11)18-15(19)7-13(8-16)20-2;/h3-6,9,13H,7-8,16H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 2.84, 6 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-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120587411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).