N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C13H14N2O2S — CID 5215878

IUPACN-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NCCO)cc2)cs1
InChIInChI=1S/C13H14N2O2S/c1-9-15-12(8-18-9)10-2-4-11(5-3-10)13(17)14-6-7-16/h2-5,8,16H,6-7H2,1H3,(H,14,17)
InChIKeyINOPFHFAIOBEHG-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.84
Rot. Bonds4

About N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 5215878) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID5215878
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NCCO)cc2)cs1
InChIInChI=1S/C13H14N2O2S/c1-9-15-12(8-18-9)10-2-4-11(5-3-10)13(17)14-6-7-16/h2-5,8,16H,6-7H2,1H3,(H,14,17)
InChIKeyINOPFHFAIOBEHG-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 5215878) is N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)NCCO)cc2)cs1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is INOPFHFAIOBEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-15-12(8-18-9)10-2-4-11(5-3-10)13(17)14-6-7-16/h2-5,8,16H,6-7H2,1H3,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 262.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 5215878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).