3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide

C16H20N2O2S — CID 70743381

IUPAC3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCc2nccs2)c1
InChIInChI=1S/C16H20N2O2S/c1-16(2,20)7-6-12-4-3-5-13(10-12)15(19)18-11-14-17-8-9-21-14/h3-5,8-10,20H,6-7,11H2,1-2H3,(H,18,19)
InChIKeyIXXKRBJLCKXYKX-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.78
Rot. Bonds6

About 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide

3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 70743381) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID70743381
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCc2nccs2)c1
InChIInChI=1S/C16H20N2O2S/c1-16(2,20)7-6-12-4-3-5-13(10-12)15(19)18-11-14-17-8-9-21-14/h3-5,8-10,20H,6-7,11H2,1-2H3,(H,18,19)
InChIKeyIXXKRBJLCKXYKX-UHFFFAOYSA-N
XLogP2.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 70743381) is 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide is CC(C)(O)CCc1cccc(C(=O)NCc2nccs2)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is IXXKRBJLCKXYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,20)7-6-12-4-3-5-13(10-12)15(19)18-11-14-17-8-9-21-14/h3-5,8-10,20H,6-7,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 304.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 70743381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).