3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide

C14H16N2O3S — CID 141135963

IUPAC3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide
SMILESCc1cnc(NC(=O)c2cccc(O)c2OC(C)C)s1
InChIInChI=1S/C14H16N2O3S/c1-8(2)19-12-10(5-4-6-11(12)17)13(18)16-14-15-7-9(3)20-14/h4-8,17H,1-3H3,(H,15,16,18)
InChIKeyHFFQQEVPBGZJHW-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.20
Rot. Bonds4

About 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide

3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide (PubChem CID 141135963) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide
PubChem CID141135963
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide
SMILESCc1cnc(NC(=O)c2cccc(O)c2OC(C)C)s1
InChIInChI=1S/C14H16N2O3S/c1-8(2)19-12-10(5-4-6-11(12)17)13(18)16-14-15-7-9(3)20-14/h4-8,17H,1-3H3,(H,15,16,18)
InChIKeyHFFQQEVPBGZJHW-UHFFFAOYSA-N
XLogP3.20
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide?
The IUPAC name of 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide (CID 141135963) is 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide?
The canonical SMILES for 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide is Cc1cnc(NC(=O)c2cccc(O)c2OC(C)C)s1.
What is the InChIKey of 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide?
The InChIKey is HFFQQEVPBGZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8(2)19-12-10(5-4-6-11(12)17)13(18)16-14-15-7-9(3)20-14/h4-8,17H,1-3H3,(H,15,16,18).
What are the key properties of 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide?
3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide has a molecular weight of 292.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 141135963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).