N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide

C14H16N2O2S — CID 837309

IUPACN-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
SMILESCC(C)(C)c1cnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)11-8-15-13(19-11)16-12(18)9-6-4-5-7-10(9)17/h4-8,17H,1-3H3,(H,15,16,18)
InChIKeyZICPDEAWYOHKCV-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.40
Rot. Bonds2

About N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide

N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide (PubChem CID 837309) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
PubChem CID837309
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
SMILESCC(C)(C)c1cnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)11-8-15-13(19-11)16-12(18)9-6-4-5-7-10(9)17/h4-8,17H,1-3H3,(H,15,16,18)
InChIKeyZICPDEAWYOHKCV-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide (CID 837309) is N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide is CC(C)(C)c1cnc(NC(=O)c2ccccc2O)s1.
What is the InChIKey of N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The InChIKey is ZICPDEAWYOHKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2,3)11-8-15-13(19-11)16-12(18)9-6-4-5-7-10(9)17/h4-8,17H,1-3H3,(H,15,16,18).
What are the key properties of N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide has a molecular weight of 276.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 837309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).