N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide

C19H18N2O2S2 — CID 2481015

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESO=C(CSCCO)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H18N2O2S2/c22-11-12-24-13-16(23)20-19-21-17(14-7-3-1-4-8-14)18(25-19)15-9-5-2-6-10-15/h1-10,22H,11-13H2,(H,20,21,23)
InChIKeyZGGOLRCSPMBTRS-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.14
Rot. Bonds7

About N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 2481015) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID2481015
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESO=C(CSCCO)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H18N2O2S2/c22-11-12-24-13-16(23)20-19-21-17(14-7-3-1-4-8-14)18(25-19)15-9-5-2-6-10-15/h1-10,22H,11-13H2,(H,20,21,23)
InChIKeyZGGOLRCSPMBTRS-UHFFFAOYSA-N
XLogP4.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 2158872
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 3285480
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
CID 2336959
2-(benzenesulfonyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
CID 18573228
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26177375
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 43980747

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide (CID 2481015) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide is O=C(CSCCO)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is ZGGOLRCSPMBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c22-11-12-24-13-16(23)20-19-21-17(14-7-3-1-4-8-14)18(25-19)15-9-5-2-6-10-15/h1-10,22H,11-13H2,(H,20,21,23).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 370.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 2481015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).