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

C8H11BrN2OS — CID 11173072

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-8(2,3)6(12)11-7-10-4-5(9)13-7/h4H,1-3H3,(H,10,11,12)
InChIKeyYXGIOMZEOSAJJU-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.89
Rot. Bonds1

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

N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 11173072) 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)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
PubChem CID11173072
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-8(2,3)6(12)11-7-10-4-5(9)13-7/h4H,1-3H3,(H,10,11,12)
InChIKeyYXGIOMZEOSAJJU-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dibromo-1-methyl-N-(1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 592926
2-Acetamido-5-bromo-1,3-thiazole
CID 350260
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
2-Amino-5-thio-substituted thiazole 57
CID 5329696
Propanamide, N-(5-chloro-2-thiazolyl)-
CID 26285
tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
CID 21300388
N-(5-bromo-1,3-thiazol-2-yl)pentanamide
CID 2225496
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
N-(5-Bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 54595974
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 61146667
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
CID 61178108

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (CID 11173072) is N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is YXGIOMZEOSAJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-8(2,3)6(12)11-7-10-4-5(9)13-7/h4H,1-3H3,(H,10,11,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 263.16 g/mol, XLogP of 2.89, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 11173072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).