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

C8H11BrN2OS — CID 175925935

IUPAC2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)c1nc(Br)cs1
InChIInChI=1S/C8H11BrN2OS/c1-8(2,6(12)10-3)7-11-5(9)4-13-7/h4H,1-3H3,(H,10,12)
InChIKeyIWMFCNQSYISYJE-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.93
Rot. Bonds2

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

2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide (PubChem CID 175925935) 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,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide
PubChem CID175925935
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)c1nc(Br)cs1
InChIInChI=1S/C8H11BrN2OS/c1-8(2,6(12)10-3)7-11-5(9)4-13-7/h4H,1-3H3,(H,10,12)
InChIKeyIWMFCNQSYISYJE-UHFFFAOYSA-N
XLogP1.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.93
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,2-dimethylpropanamide?
The IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide (CID 175925935) is 2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide is CNC(=O)C(C)(C)c1nc(Br)cs1.
What is the InChIKey of 2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide?
The InChIKey is IWMFCNQSYISYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-8(2,6(12)10-3)7-11-5(9)4-13-7/h4H,1-3H3,(H,10,12).
What are the key properties of 2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide?
2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide has a molecular weight of 263.16 g/mol, XLogP of 1.93, 2 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,2-dimethylpropanamide is sourced from PubChem (CID 175925935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).