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

C8H12BrN3OS — CID 138013918

IUPACN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide
SMILESCc1sc(NC(=O)CN(C)C)nc1Br
InChIInChI=1S/C8H12BrN3OS/c1-5-7(9)11-8(14-5)10-6(13)4-12(2)3/h4H2,1-3H3,(H,10,11,13)
InChIKeyUENPCKQEVZSVPM-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.71
Rot. Bonds3

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

N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide (PubChem CID 138013918) has the molecular formula C8H12BrN3OS and a molecular weight of 278.18 g/mol. Its IUPAC name is N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide
PubChem CID138013918
Molecular FormulaC8H12BrN3OS
Molecular Weight278.18 g/mol
Exact Mass276.99
IUPAC NameN-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide
SMILESCc1sc(NC(=O)CN(C)C)nc1Br
InChIInChI=1S/C8H12BrN3OS/c1-5-7(9)11-8(14-5)10-6(13)4-12(2)3/h4H2,1-3H3,(H,10,11,13)
InChIKeyUENPCKQEVZSVPM-UHFFFAOYSA-N
XLogP1.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide (CID 138013918) is N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide is Cc1sc(NC(=O)CN(C)C)nc1Br.
What is the InChIKey of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide?
The InChIKey is UENPCKQEVZSVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3OS/c1-5-7(9)11-8(14-5)10-6(13)4-12(2)3/h4H2,1-3H3,(H,10,11,13).
What are the key properties of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide?
N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide has a molecular weight of 278.18 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 138013918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).