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

C8H11BrN2OS — CID 2225496

IUPACN-(5-bromo-1,3-thiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-2-3-4-7(12)11-8-10-5-6(9)13-8/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyHOCBGJXGIXFATC-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.03
Rot. Bonds4

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

N-(5-bromo-1,3-thiazol-2-yl)pentanamide (PubChem CID 2225496) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)pentanamide
PubChem CID2225496
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-2-3-4-7(12)11-8-10-5-6(9)13-8/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyHOCBGJXGIXFATC-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)pentanamide (CID 2225496) is N-(5-bromo-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)pentanamide is CCCCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)pentanamide?
The InChIKey is HOCBGJXGIXFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-2-3-4-7(12)11-8-10-5-6(9)13-8/h5H,2-4H2,1H3,(H,10,11,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)pentanamide?
N-(5-bromo-1,3-thiazol-2-yl)pentanamide has a molecular weight of 263.16 g/mol, XLogP of 3.03, 4 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)pentanamide is sourced from PubChem (CID 2225496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).