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

C14H16N2O2S2 — CID 77078608

IUPAC4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccc(SCCO)cc1
InChIInChI=1S/C14H16N2O2S2/c17-7-8-20-13-3-1-11(2-4-13)14(18)15-6-5-12-9-19-10-16-12/h1-4,9-10,17H,5-8H2,(H,15,18)
InChIKeyPFBYDKDVVJOJHP-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.20
Rot. Bonds7

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

4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 77078608) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID77078608
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccc(SCCO)cc1
InChIInChI=1S/C14H16N2O2S2/c17-7-8-20-13-3-1-11(2-4-13)14(18)15-6-5-12-9-19-10-16-12/h1-4,9-10,17H,5-8H2,(H,15,18)
InChIKeyPFBYDKDVVJOJHP-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26812896
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
4-(diethylsulfamoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284882
N-[2-(1,3-thiazol-4-yl)ethyl]-8-[[3-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
CID 132606860
N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 78954440
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 95317070
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 77078608) is 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1cscn1)c1ccc(SCCO)cc1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is PFBYDKDVVJOJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-7-8-20-13-3-1-11(2-4-13)14(18)15-6-5-12-9-19-10-16-12/h1-4,9-10,17H,5-8H2,(H,15,18).
What are the key properties of 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 308.43 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 77078608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).