2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide

C14H14Br2N2OS — CID 103883113

IUPAC2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCc1cnc(C(C)NC(=O)c2ccc(Br)cc2Br)s1
InChIInChI=1S/C14H14Br2N2OS/c1-3-10-7-17-14(20-10)8(2)18-13(19)11-5-4-9(15)6-12(11)16/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyXYAJJSCHBHFZFU-UHFFFAOYSA-N
MW418.15 g/mol
LogP4.72
Rot. Bonds4

About 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide

2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 103883113) has the molecular formula C14H14Br2N2OS and a molecular weight of 418.15 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID103883113
Molecular FormulaC14H14Br2N2OS
Molecular Weight418.15 g/mol
Exact Mass415.92
IUPAC Name2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCc1cnc(C(C)NC(=O)c2ccc(Br)cc2Br)s1
InChIInChI=1S/C14H14Br2N2OS/c1-3-10-7-17-14(20-10)8(2)18-13(19)11-5-4-9(15)6-12(11)16/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyXYAJJSCHBHFZFU-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.15
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
3-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112696811
2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
CID 107034319
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115681963
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 113387514
5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 115740766
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167753097

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 103883113) is 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide is CCc1cnc(C(C)NC(=O)c2ccc(Br)cc2Br)s1.
What is the InChIKey of 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is XYAJJSCHBHFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2OS/c1-3-10-7-17-14(20-10)8(2)18-13(19)11-5-4-9(15)6-12(11)16/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide?
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 418.15 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103883113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).