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

C17H24ClN3O2S — CID 119787457

IUPAC3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
SMILESCOc1ccc(-c2nc(C)c(C(C)NC(=O)CC(C)N)s2)cc1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-10(18)9-15(21)19-11(2)16-12(3)20-17(23-16)13-5-7-14(22-4)8-6-13;/h5-8,10-11H,9,18H2,1-4H3,(H,19,21);1H
InChIKeyOQFULCVGOCNGFU-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.46
Rot. Bonds6

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

3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride (PubChem CID 119787457) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
PubChem CID119787457
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
SMILESCOc1ccc(-c2nc(C)c(C(C)NC(=O)CC(C)N)s2)cc1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-10(18)9-15(21)19-11(2)16-12(3)20-17(23-16)13-5-7-14(22-4)8-6-13;/h5-8,10-11H,9,18H2,1-4H3,(H,19,21);1H
InChIKeyOQFULCVGOCNGFU-UHFFFAOYSA-N
XLogP3.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pentanamide;hydrochloride
CID 120562788
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pentanamide
CID 120562789
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119325852
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride
CID 120500956
2-amino-3-methoxy-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 120989885
4-amino-3-methoxy-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 120591992
2-hydroxy-N-[(1R)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 99834592
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride
CID 120990530
2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120990531
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride (CID 119787457) is 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride is COc1ccc(-c2nc(C)c(C(C)NC(=O)CC(C)N)s2)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride?
The InChIKey is OQFULCVGOCNGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-10(18)9-15(21)19-11(2)16-12(3)20-17(23-16)13-5-7-14(22-4)8-6-13;/h5-8,10-11H,9,18H2,1-4H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride?
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119787457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).