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

C13H14N2O2S — CID 103957000

IUPAC4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2cscn2)ccc1O
InChIInChI=1S/C13H14N2O2S/c1-9-6-10(2-3-12(9)16)13(17)14-5-4-11-7-18-8-15-11/h2-3,6-8,16H,4-5H2,1H3,(H,14,17)
InChIKeyVVPAAXOXATXKCV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.13
Rot. Bonds4

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

4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 103957000) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID103957000
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2cscn2)ccc1O
InChIInChI=1S/C13H14N2O2S/c1-9-6-10(2-3-12(9)16)13(17)14-5-4-11-7-18-8-15-11/h2-3,6-8,16H,4-5H2,1H3,(H,14,17)
InChIKeyVVPAAXOXATXKCV-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107675014
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 77078608
4-(diethylsulfamoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284882
2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25454808
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 103957000) is 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is Cc1cc(C(=O)NCCc2cscn2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is VVPAAXOXATXKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-6-10(2-3-12(9)16)13(17)14-5-4-11-7-18-8-15-11/h2-3,6-8,16H,4-5H2,1H3,(H,14,17).
What are the key properties of 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 262.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103957000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).