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

C16H21BrClN3O2S — CID 120990530

IUPAC2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1sc(-c2ccc(Br)cc2)nc1C.Cl
InChIInChI=1S/C16H20BrN3O2S.ClH/c1-9(19-15(21)13(18)8-22-3)14-10(2)20-16(23-14)11-4-6-12(17)7-5-11;/h4-7,9,13H,8,18H2,1-3H3,(H,19,21);1H
InChIKeyWQHMWGOWCYZPKM-UHFFFAOYSA-N
MW434.79 g/mol
LogP3.45
Rot. Bonds6

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

2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120990530) has the molecular formula C16H21BrClN3O2S and a molecular weight of 434.79 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120990530
Molecular FormulaC16H21BrClN3O2S
Molecular Weight434.79 g/mol
Exact Mass433.02
IUPAC Name2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1sc(-c2ccc(Br)cc2)nc1C.Cl
InChIInChI=1S/C16H20BrN3O2S.ClH/c1-9(19-15(21)13(18)8-22-3)14-10(2)20-16(23-14)11-4-6-12(17)7-5-11;/h4-7,9,13H,8,18H2,1-3H3,(H,19,21);1H
InChIKeyWQHMWGOWCYZPKM-UHFFFAOYSA-N
XLogP3.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120990531
2-amino-3-methoxy-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 120989885
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride
CID 120500956
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride
CID 119778553
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119787457
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pentanamide;hydrochloride
CID 120562788
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methylsulfanylbutanamide
CID 119320646
2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
CID 119779776
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pentanamide
CID 120562789
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;hydrochloride
CID 119750099

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride (CID 120990530) is 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC(C)c1sc(-c2ccc(Br)cc2)nc1C.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is WQHMWGOWCYZPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2S.ClH/c1-9(19-15(21)13(18)8-22-3)14-10(2)20-16(23-14)11-4-6-12(17)7-5-11;/h4-7,9,13H,8,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 434.79 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120990530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).