2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C17H13BrN2OS — CID 2269742

IUPAC2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccccc3Br)cc2)cs1
InChIInChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)20-17(21)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,20,21)
InChIKeyYCCQZILXGTZVHF-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.13
Rot. Bonds3

About 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 2269742) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID2269742
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC Name2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccccc3Br)cc2)cs1
InChIInChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)20-17(21)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,20,21)
InChIKeyYCCQZILXGTZVHF-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2501115
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CID 732488
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CID 850698
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CID 891743
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CID 893017
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 2269742) is 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1nc(-c2ccc(NC(=O)c3ccccc3Br)cc2)cs1.
What is the InChIKey of 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is YCCQZILXGTZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)20-17(21)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 373.28 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 2269742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).