3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide

C14H16N2O2S — CID 104583096

IUPAC3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCc1c(O)cccc1C(=O)NCC(C)c1nccs1
InChIInChI=1S/C14H16N2O2S/c1-9(14-15-6-7-19-14)8-16-13(18)11-4-3-5-12(17)10(11)2/h3-7,9,17H,8H2,1-2H3,(H,16,18)
InChIKeyARAMFGYPXJWPTQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.69
Rot. Bonds4

About 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide

3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 104583096) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID104583096
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCc1c(O)cccc1C(=O)NCC(C)c1nccs1
InChIInChI=1S/C14H16N2O2S/c1-9(14-15-6-7-19-14)8-16-13(18)11-4-3-5-12(17)10(11)2/h3-7,9,17H,8H2,1-2H3,(H,16,18)
InChIKeyARAMFGYPXJWPTQ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583150
3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974
6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 104579250
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 104578800
6-amino-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 114129311
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
2-iodo-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104579241
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide (CID 104583096) is 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide is Cc1c(O)cccc1C(=O)NCC(C)c1nccs1.
What is the InChIKey of 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is ARAMFGYPXJWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(14-15-6-7-19-14)8-16-13(18)11-4-3-5-12(17)10(11)2/h3-7,9,17H,8H2,1-2H3,(H,16,18).
What are the key properties of 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 104583096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).