N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide

C20H18N4O2S2 — CID 1281415

IUPACN-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide
SMILESCOc1cccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)c1
InChIInChI=1S/C20H18N4O2S2/c1-26-16-9-5-8-15(12-16)21-18(25)10-11-27-19-22-23-20-24(19)17(13-28-20)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,21,25)
InChIKeyZMXRWOAREBGSHJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.59
Rot. Bonds7

About N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide

N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide (PubChem CID 1281415) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide
PubChem CID1281415
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide
SMILESCOc1cccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)c1
InChIInChI=1S/C20H18N4O2S2/c1-26-16-9-5-8-15(12-16)21-18(25)10-11-27-19-22-23-20-24(19)17(13-28-20)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,21,25)
InChIKeyZMXRWOAREBGSHJ-UHFFFAOYSA-N
XLogP4.59
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
CID 1085108
2-[5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 654599
N-(4-Acetylamino-phenyl)-2-[5-(2,5-dimethoxy-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 645313
N-(4-{2-[5-(3-Methoxy-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-acetyl}-phenyl)-acetamide
CID 651911
2-[5-(3-Methoxy-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-N-thiophen-2-ylmethyl-acetamide
CID 653106
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1085106
2-{5-[(4-Methoxy-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1136046
2-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1281418
N-(3-Methoxy-phenyl)-2-(5-thiophen-2-ylmethyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1835932
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4433136
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5114416
N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 11958570

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide (CID 1281415) is N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide is COc1cccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide?
The InChIKey is ZMXRWOAREBGSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-26-16-9-5-8-15(12-16)21-18(25)10-11-27-19-22-23-20-24(19)17(13-28-20)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,21,25).
What are the key properties of N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide?
N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide has a molecular weight of 410.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 1281415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).