N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide

C8H11BrN2OS — CID 134938447

IUPACN-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide
SMILESCCCc1sc(Br)nc1NC(C)=O
InChIInChI=1S/C8H11BrN2OS/c1-3-4-6-7(10-5(2)12)11-8(9)13-6/h3-4H2,1-2H3,(H,10,12)
InChIKeyNFJVQFGWTJKNAL-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.82
Rot. Bonds3

About N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide

N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide (PubChem CID 134938447) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide
PubChem CID134938447
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide
SMILESCCCc1sc(Br)nc1NC(C)=O
InChIInChI=1S/C8H11BrN2OS/c1-3-4-6-7(10-5(2)12)11-8(9)13-6/h3-4H2,1-2H3,(H,10,12)
InChIKeyNFJVQFGWTJKNAL-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide (CID 134938447) is N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide is CCCc1sc(Br)nc1NC(C)=O.
What is the InChIKey of N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is NFJVQFGWTJKNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-3-4-6-7(10-5(2)12)11-8(9)13-6/h3-4H2,1-2H3,(H,10,12).
What are the key properties of N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide?
N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 263.16 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-propyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 134938447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).