4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide

C12H11BrN2O2S — CID 103873486

IUPAC4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)c(O)c2)s1
InChIInChI=1S/C12H11BrN2O2S/c1-7-5-14-11(18-7)6-15-12(17)8-2-3-9(13)10(16)4-8/h2-5,16H,6H2,1H3,(H,15,17)
InChIKeyYTDKXSQCBDPDAU-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.85
Rot. Bonds3

About 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide

4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 103873486) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID103873486
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)c(O)c2)s1
InChIInChI=1S/C12H11BrN2O2S/c1-7-5-14-11(18-7)6-15-12(17)8-2-3-9(13)10(16)4-8/h2-5,16H,6H2,1H3,(H,15,17)
InChIKeyYTDKXSQCBDPDAU-UHFFFAOYSA-N
XLogP2.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670537
3-amino-5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 114126786
5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110746432
6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 106704146
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957294
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 103873486) is 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2ccc(Br)c(O)c2)s1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is YTDKXSQCBDPDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-7-5-14-11(18-7)6-15-12(17)8-2-3-9(13)10(16)4-8/h2-5,16H,6H2,1H3,(H,15,17).
What are the key properties of 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide?
4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 327.20 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 103873486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).