2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide

C11H11BrN4O3S — CID 59962044

IUPAC2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ncc(CCc2nc(C(N)=O)c(Br)o2)s1
InChIInChI=1S/C11H11BrN4O3S/c1-5(17)15-11-14-4-6(20-11)2-3-7-16-8(10(13)18)9(12)19-7/h4H,2-3H2,1H3,(H2,13,18)(H,14,15,17)
InChIKeyLEHOZYXUVRCJBQ-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.74
Rot. Bonds5

About 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide

2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide (PubChem CID 59962044) has the molecular formula C11H11BrN4O3S and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide
PubChem CID59962044
Molecular FormulaC11H11BrN4O3S
Molecular Weight359.21 g/mol
Exact Mass357.97
IUPAC Name2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ncc(CCc2nc(C(N)=O)c(Br)o2)s1
InChIInChI=1S/C11H11BrN4O3S/c1-5(17)15-11-14-4-6(20-11)2-3-7-16-8(10(13)18)9(12)19-7/h4H,2-3H2,1H3,(H2,13,18)(H,14,15,17)
InChIKeyLEHOZYXUVRCJBQ-UHFFFAOYSA-N
XLogP1.74
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
acetonitrile;N-[5-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 174885566
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
5-bromo-2-methyl-1,3-oxazole-4-carboxamide
CID 59587437
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
N-[5-[chloro(deuterio)methyl]-1,3-thiazol-2-yl]acetamide;N-(5-formyl-1,3-thiazol-2-yl)acetamide;methane
CID 163681117
N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide
CID 54507195
[[4-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]anilino]-[tert-butyl(carboxy)amino]methyl]-tert-butylcarbamic acid
CID 87759437
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide (CID 59962044) is 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide is CC(=O)Nc1ncc(CCc2nc(C(N)=O)c(Br)o2)s1.
What is the InChIKey of 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide?
The InChIKey is LEHOZYXUVRCJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3S/c1-5(17)15-11-14-4-6(20-11)2-3-7-16-8(10(13)18)9(12)19-7/h4H,2-3H2,1H3,(H2,13,18)(H,14,15,17).
What are the key properties of 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide?
2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide has a molecular weight of 359.21 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamido-1,3-thiazol-5-yl)ethyl]-5-bromo-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59962044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).