2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide

C8H11BrN2OS — CID 171049235

IUPAC2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(Br)cs1
InChIInChI=1S/C8H11BrN2OS/c1-5(2)10-7(12)3-8-11-6(9)4-13-8/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyUNDLAWGYVIXTTN-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.97
Rot. Bonds3

About 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide

2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide (PubChem CID 171049235) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
PubChem CID171049235
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(Br)cs1
InChIInChI=1S/C8H11BrN2OS/c1-5(2)10-7(12)3-8-11-6(9)4-13-8/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyUNDLAWGYVIXTTN-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide (CID 171049235) is 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1nc(Br)cs1.
What is the InChIKey of 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide?
The InChIKey is UNDLAWGYVIXTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-5(2)10-7(12)3-8-11-6(9)4-13-8/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide?
2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide has a molecular weight of 263.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 171049235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).