N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide

C9H13BrN2OS — CID 171646359

IUPACN-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Br)c(CC(C)C)s1
InChIInChI=1S/C9H13BrN2OS/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyVKBGXCFDMHXORY-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.06
Rot. Bonds3

About N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide

N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 171646359) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
PubChem CID171646359
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC NameN-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Br)c(CC(C)C)s1
InChIInChI=1S/C9H13BrN2OS/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyVKBGXCFDMHXORY-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide (CID 171646359) is N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(Br)c(CC(C)C)s1.
What is the InChIKey of N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VKBGXCFDMHXORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13/h5H,4H2,1-3H3,(H,11,12,13).
What are the key properties of N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 277.19 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 171646359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).