2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide

C11H10N2O3S — CID 107723065

IUPAC2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1cc(O)ccc1O
InChIInChI=1S/C11H10N2O3S/c14-8-1-2-10(15)9(3-8)11(16)12-4-7-5-17-6-13-7/h1-3,5-6,14-15H,4H2,(H,12,16)
InChIKeyNRTPJPKIJUJKTP-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.48
Rot. Bonds3

About 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide

2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 107723065) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID107723065
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1cc(O)ccc1O
InChIInChI=1S/C11H10N2O3S/c14-8-1-2-10(15)9(3-8)11(16)12-4-7-5-17-6-13-7/h1-3,5-6,14-15H,4H2,(H,12,16)
InChIKeyNRTPJPKIJUJKTP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861
2,5-dihydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111164
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346233
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103892127
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 107723065) is 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide is O=C(NCc1cscn1)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is NRTPJPKIJUJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-8-1-2-10(15)9(3-8)11(16)12-4-7-5-17-6-13-7/h1-3,5-6,14-15H,4H2,(H,12,16).
What are the key properties of 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
2,5-dihydroxy-N-(1,3-thiazol-4-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 2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 107723065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).