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

C6H7BrN2OS — CID 60654828

IUPACN-(5-bromo-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H7BrN2OS/c1-2-5(10)9-6-8-3-4(7)11-6/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXLNKYNHCPHMOQB-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.25
Rot. Bonds2

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

N-(5-bromo-1,3-thiazol-2-yl)propanamide (PubChem CID 60654828) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)propanamide
PubChem CID60654828
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H7BrN2OS/c1-2-5(10)9-6-8-3-4(7)11-6/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXLNKYNHCPHMOQB-UHFFFAOYSA-N
XLogP2.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788
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
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212
1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 54919633
2-[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801262

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)propanamide (CID 60654828) is N-(5-bromo-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)propanamide is CCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)propanamide?
The InChIKey is XLNKYNHCPHMOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c1-2-5(10)9-6-8-3-4(7)11-6/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)propanamide?
N-(5-bromo-1,3-thiazol-2-yl)propanamide has a molecular weight of 235.11 g/mol, XLogP of 2.25, 2 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)propanamide is sourced from PubChem (CID 60654828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).