2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide

C14H16N2O2S — CID 38866514

IUPAC2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCC(C)c1nc(COc2ccccc2C(N)=O)cs1
InChIInChI=1S/C14H16N2O2S/c1-9(2)14-16-10(8-19-14)7-18-12-6-4-3-5-11(12)13(15)17/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
InChIKeySHJSQZCVNACZEQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.94
Rot. Bonds5

About 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide

2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 38866514) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID38866514
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCC(C)c1nc(COc2ccccc2C(N)=O)cs1
InChIInChI=1S/C14H16N2O2S/c1-9(2)14-16-10(8-19-14)7-18-12-6-4-3-5-11(12)13(15)17/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
InChIKeySHJSQZCVNACZEQ-UHFFFAOYSA-N
XLogP2.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
CID 61227732
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732115
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487826
(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 63364149
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
2-(2-methoxyphenoxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728083
2-[[5-(methylamino)pyrazin-2-yl]methoxy]benzamide
CID 103058350
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide (CID 38866514) is 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide is CC(C)c1nc(COc2ccccc2C(N)=O)cs1.
What is the InChIKey of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is SHJSQZCVNACZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(2)14-16-10(8-19-14)7-18-12-6-4-3-5-11(12)13(15)17/h3-6,8-9H,7H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide?
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 38866514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).