3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide

C11H10N2O3S — CID 104583444

IUPAC3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc(O)cc(O)c1
InChIInChI=1S/C11H10N2O3S/c14-8-1-7(2-9(15)3-8)11(16)13-5-10-4-12-6-17-10/h1-4,6,14-15H,5H2,(H,13,16)
InChIKeyZGICEQUFTSDXIZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.48
Rot. Bonds3

About 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide

3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 104583444) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID104583444
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc(O)cc(O)c1
InChIInChI=1S/C11H10N2O3S/c14-8-1-7(2-9(15)3-8)11(16)13-5-10-4-12-6-17-10/h1-4,6,14-15H,5H2,(H,13,16)
InChIKeyZGICEQUFTSDXIZ-UHFFFAOYSA-N
XLogP1.48
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429009
5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
CID 104579050
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 113429061
2-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920
6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 104579123
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63930382
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
CID 104579028
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 104583444) is 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide is O=C(NCc1cncs1)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is ZGICEQUFTSDXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-8-1-7(2-9(15)3-8)11(16)13-5-10-4-12-6-17-10/h1-4,6,14-15H,5H2,(H,13,16).
What are the key properties of 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide?
3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 250.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 104583444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).