3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide

C14H16N2O2S — CID 104583150

IUPAC3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)c2nccs2)cc1O
InChIInChI=1S/C14H16N2O2S/c1-9-3-4-11(7-12(9)17)13(18)16-8-10(2)14-15-5-6-19-14/h3-7,10,17H,8H2,1-2H3,(H,16,18)
InChIKeyOEEOYPYVLHUUAZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.69
Rot. Bonds4

About 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide

3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 104583150) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID104583150
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)c2nccs2)cc1O
InChIInChI=1S/C14H16N2O2S/c1-9-3-4-11(7-12(9)17)13(18)16-8-10(2)14-15-5-6-19-14/h3-7,10,17H,8H2,1-2H3,(H,16,18)
InChIKeyOEEOYPYVLHUUAZ-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

3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104578827
3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
CID 110014999
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 166211006
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
N-(4-bromo-2-methylbutyl)-3-hydroxy-4-methylbenzamide
CID 114316818
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide (CID 104583150) is 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide is Cc1ccc(C(=O)NCC(C)c2nccs2)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is OEEOYPYVLHUUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-3-4-11(7-12(9)17)13(18)16-8-10(2)14-15-5-6-19-14/h3-7,10,17H,8H2,1-2H3,(H,16,18).
What are the key properties of 3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
3-hydroxy-4-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-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 104583150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).