2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

C17H15N7OS3 — CID 55604271

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(SCC3CSc4nnc(-c5cccnc5)n43)o2)cs1
InChIInChI=1S/C17H15N7OS3/c1-10-19-12(7-26-10)5-14-20-23-17(25-14)28-9-13-8-27-16-22-21-15(24(13)16)11-3-2-4-18-6-11/h2-4,6-7,13H,5,8-9H2,1H3
InChIKeyDCFDBIZXSJRHEN-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.52
Rot. Bonds6

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 55604271) has the molecular formula C17H15N7OS3 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID55604271
Molecular FormulaC17H15N7OS3
Molecular Weight429.56 g/mol
Exact Mass429.05
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(SCC3CSc4nnc(-c5cccnc5)n43)o2)cs1
InChIInChI=1S/C17H15N7OS3/c1-10-19-12(7-26-10)5-14-20-23-17(25-14)28-9-13-8-27-16-22-21-15(24(13)16)11-3-2-4-18-6-11/h2-4,6-7,13H,5,8-9H2,1H3
InChIKeyDCFDBIZXSJRHEN-UHFFFAOYSA-N
XLogP3.52
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 55604271) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is Cc1nc(Cc2nnc(SCC3CSc4nnc(-c5cccnc5)n43)o2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is DCFDBIZXSJRHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS3/c1-10-19-12(7-26-10)5-14-20-23-17(25-14)28-9-13-8-27-16-22-21-15(24(13)16)11-3-2-4-18-6-11/h2-4,6-7,13H,5,8-9H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 429.56 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 55604271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).