5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

C23H25N7OS2 — CID 55604320

IUPAC5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCCCCn1c(SCC2CSc3nnc(-c4cccnc4)n32)nnc1-c1ccc(OC)cc1
InChIInChI=1S/C23H25N7OS2/c1-3-4-12-29-20(16-7-9-19(31-2)10-8-16)25-27-22(29)32-14-18-15-33-23-28-26-21(30(18)23)17-6-5-11-24-13-17/h5-11,13,18H,3-4,12,14-15H2,1-2H3
InChIKeyDAGJHLNYSVBKKS-UHFFFAOYSA-N
MW479.64 g/mol
LogP4.85
Rot. Bonds9

About 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 55604320) has the molecular formula C23H25N7OS2 and a molecular weight of 479.64 g/mol. Its IUPAC name is 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID55604320
Molecular FormulaC23H25N7OS2
Molecular Weight479.64 g/mol
Exact Mass479.16
IUPAC Name5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCCCCn1c(SCC2CSc3nnc(-c4cccnc4)n32)nnc1-c1ccc(OC)cc1
InChIInChI=1S/C23H25N7OS2/c1-3-4-12-29-20(16-7-9-19(31-2)10-8-16)25-27-22(29)32-14-18-15-33-23-28-26-21(30(18)23)17-6-5-11-24-13-17/h5-11,13,18H,3-4,12,14-15H2,1-2H3
InChIKeyDAGJHLNYSVBKKS-UHFFFAOYSA-N
XLogP4.85
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole with MolForge

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Launch Full Analysis

Related Compounds

cyclohexyl 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 3181235
5-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 55600333
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
4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
CID 84601941
4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpyrimidine
CID 100625756
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-N-methylacetamide
CID 60583263
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 46805081
3-ethyl-2-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 42891387
4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 55600281
3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33363330
4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 60611585
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 55524400

Frequently Asked Questions

What is the IUPAC name of 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 55604320) is 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is CCCCn1c(SCC2CSc3nnc(-c4cccnc4)n32)nnc1-c1ccc(OC)cc1.
What is the InChIKey of 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is DAGJHLNYSVBKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS2/c1-3-4-12-29-20(16-7-9-19(31-2)10-8-16)25-27-22(29)32-14-18-15-33-23-28-26-21(30(18)23)17-6-5-11-24-13-17/h5-11,13,18H,3-4,12,14-15H2,1-2H3.
What are the key properties of 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 479.64 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 55604320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).