N-(5-bromo-1,3-thiazol-2-yl)butanamide

C7H9BrN2OS — CID 22170788

IUPACN-(5-bromo-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2OS/c1-2-3-6(11)10-7-9-4-5(8)12-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyWOFRPPVOBOZWQF-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.64
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)butanamide

N-(5-bromo-1,3-thiazol-2-yl)butanamide (PubChem CID 22170788) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)butanamide
PubChem CID22170788
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2OS/c1-2-3-6(11)10-7-9-4-5(8)12-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyWOFRPPVOBOZWQF-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide
CID 60783690
N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260824
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
N-(5-bromo-1,3-thiazol-2-yl)but-2-enamide
CID 76880215
methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate
CID 53352081
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103556726
2-(4-bromophenoxy)-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 35524705
3-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid
CID 61206545
ethyl 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537791
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)butanamide (CID 22170788) is N-(5-bromo-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)butanamide?
The InChIKey is WOFRPPVOBOZWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-2-3-6(11)10-7-9-4-5(8)12-7/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)butanamide?
N-(5-bromo-1,3-thiazol-2-yl)butanamide has a molecular weight of 249.13 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 22170788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).