3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide

C14H16N2O2S — CID 110486058

IUPAC3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCC(C)(O)c1cccc(C(=O)NCc2nccs2)c1
InChIInChI=1S/C14H16N2O2S/c1-14(2,18)11-5-3-4-10(8-11)13(17)16-9-12-15-6-7-19-12/h3-8,18H,9H2,1-2H3,(H,16,17)
InChIKeyLTMHHHXOQPPDLJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.30
Rot. Bonds4

About 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide

3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 110486058) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID110486058
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCC(C)(O)c1cccc(C(=O)NCc2nccs2)c1
InChIInChI=1S/C14H16N2O2S/c1-14(2,18)11-5-3-4-10(8-11)13(17)16-9-12-15-6-7-19-12/h3-8,18H,9H2,1-2H3,(H,16,17)
InChIKeyLTMHHHXOQPPDLJ-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110463662
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804
4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62160253
N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486080

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 110486058) is 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide is CC(C)(O)c1cccc(C(=O)NCc2nccs2)c1.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is LTMHHHXOQPPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2,18)11-5-3-4-10(8-11)13(17)16-9-12-15-6-7-19-12/h3-8,18H,9H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 110486058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).