N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide

C12H12N2O2S — CID 807671

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
SMILESCc1nc(NC(=O)c2ccccc2O)sc1C
InChIInChI=1S/C12H12N2O2S/c1-7-8(2)17-12(13-7)14-11(16)9-5-3-4-6-10(9)15/h3-6,15H,1-2H3,(H,13,14,16)
InChIKeyMIJUVXDVRDGOIN-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.72
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide (PubChem CID 807671) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
PubChem CID807671
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
SMILESCc1nc(NC(=O)c2ccccc2O)sc1C
InChIInChI=1S/C12H12N2O2S/c1-7-8(2)17-12(13-7)14-11(16)9-5-3-4-6-10(9)15/h3-6,15H,1-2H3,(H,13,14,16)
InChIKeyMIJUVXDVRDGOIN-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide (CID 807671) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide is Cc1nc(NC(=O)c2ccccc2O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The InChIKey is MIJUVXDVRDGOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-8(2)17-12(13-7)14-11(16)9-5-3-4-6-10(9)15/h3-6,15H,1-2H3,(H,13,14,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide has a molecular weight of 248.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 807671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).