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

C12H10Br2N2OS — CID 103882791

IUPAC2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)c1nccs1
InChIInChI=1S/C12H10Br2N2OS/c1-7(12-15-4-5-18-12)16-11(17)9-3-2-8(13)6-10(9)14/h2-7H,1H3,(H,16,17)
InChIKeyZLEJWIXXJRQWIR-UHFFFAOYSA-N
MW390.10 g/mol
LogP4.16
Rot. Bonds3

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

2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 103882791) has the molecular formula C12H10Br2N2OS and a molecular weight of 390.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID103882791
Molecular FormulaC12H10Br2N2OS
Molecular Weight390.10 g/mol
Exact Mass387.89
IUPAC Name2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)c1nccs1
InChIInChI=1S/C12H10Br2N2OS/c1-7(12-15-4-5-18-12)16-11(17)9-3-2-8(13)6-10(9)14/h2-7H,1H3,(H,16,17)
InChIKeyZLEJWIXXJRQWIR-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103989737
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
CID 107952380
2,4-dihydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113232782
3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 114907990
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030816
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 103882791) is 2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1Br)c1nccs1.
What is the InChIKey of 2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is ZLEJWIXXJRQWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2OS/c1-7(12-15-4-5-18-12)16-11(17)9-3-2-8(13)6-10(9)14/h2-7H,1H3,(H,16,17).
What are the key properties of 2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 390.10 g/mol, XLogP of 4.16, 3 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-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103882791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).