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

C15H19BrClN3O2S — CID 120590420

IUPAC4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1.Cl
InChIInChI=1S/C15H18BrN3O2S.ClH/c1-21-12(8-17)7-14(20)19-15-18-9-13(22-15)6-10-3-2-4-11(16)5-10;/h2-5,9,12H,6-8,17H2,1H3,(H,18,19,20);1H
InChIKeyCMZSQYADQAVVSD-UHFFFAOYSA-N
MW420.76 g/mol
LogP3.22
Rot. Bonds7

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

4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride (PubChem CID 120590420) has the molecular formula C15H19BrClN3O2S and a molecular weight of 420.76 g/mol. Its IUPAC name is 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
PubChem CID120590420
Molecular FormulaC15H19BrClN3O2S
Molecular Weight420.76 g/mol
Exact Mass419.01
IUPAC Name4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1.Cl
InChIInChI=1S/C15H18BrN3O2S.ClH/c1-21-12(8-17)7-14(20)19-15-18-9-13(22-15)6-10-3-2-4-11(16)5-10;/h2-5,9,12H,6-8,17H2,1H3,(H,18,19,20);1H
InChIKeyCMZSQYADQAVVSD-UHFFFAOYSA-N
XLogP3.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.76
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587826
4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587828
4-amino-3-methoxy-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 120587824
methyl 3-[[2-(3-aminobutanoylamino)-1,3-thiazol-5-yl]methyl]benzoate
CID 119766767
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 166383774
methyl 3-[[2-[[(2R)-2-aminopropanoyl]amino]-1,3-thiazol-5-yl]methyl]benzoate;hydrochloride
CID 119313792
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
4-amino-N-(5-bromo-2-pyridinyl)-3-methoxybutanamide
CID 103154268

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride (CID 120590420) is 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1.Cl.
What is the InChIKey of 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride?
The InChIKey is CMZSQYADQAVVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S.ClH/c1-21-12(8-17)7-14(20)19-15-18-9-13(22-15)6-10-3-2-4-11(16)5-10;/h2-5,9,12H,6-8,17H2,1H3,(H,18,19,20);1H.
What are the key properties of 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride has a molecular weight of 420.76 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120590420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).