4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine

C16H19N5OS3 — CID 8946100

IUPAC4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
SMILESCCn1c(SCc2csc(-c3ccsc3)n2)nnc1N1CCOCC1
InChIInChI=1S/C16H19N5OS3/c1-2-21-15(20-4-6-22-7-5-20)18-19-16(21)25-11-13-10-24-14(17-13)12-3-8-23-9-12/h3,8-10H,2,4-7,11H2,1H3
InChIKeyGJQBSLWBKXDANC-UHFFFAOYSA-N
MW393.56 g/mol
LogP3.61
Rot. Bonds6

About 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine

4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine (PubChem CID 8946100) has the molecular formula C16H19N5OS3 and a molecular weight of 393.56 g/mol. Its IUPAC name is 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
PubChem CID8946100
Molecular FormulaC16H19N5OS3
Molecular Weight393.56 g/mol
Exact Mass393.08
IUPAC Name4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
SMILESCCn1c(SCc2csc(-c3ccsc3)n2)nnc1N1CCOCC1
InChIInChI=1S/C16H19N5OS3/c1-2-21-15(20-4-6-22-7-5-20)18-19-16(21)25-11-13-10-24-14(17-13)12-3-8-23-9-12/h3,8-10H,2,4-7,11H2,1H3
InChIKeyGJQBSLWBKXDANC-UHFFFAOYSA-N
XLogP3.61
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine with MolForge

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Related Compounds

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8751448
4-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 30036894
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216932
4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8880989
4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 30764305
4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8747825
4-[4-ethyl-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 8906065
4-[4-ethyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 8838342
4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 36750966
4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 60608816
4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine
CID 24671449
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 78812297

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine (CID 8946100) is 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine is CCn1c(SCc2csc(-c3ccsc3)n2)nnc1N1CCOCC1.
What is the InChIKey of 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine?
The InChIKey is GJQBSLWBKXDANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS3/c1-2-21-15(20-4-6-22-7-5-20)18-19-16(21)25-11-13-10-24-14(17-13)12-3-8-23-9-12/h3,8-10H,2,4-7,11H2,1H3.
What are the key properties of 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine?
4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine has a molecular weight of 393.56 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 8946100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).