5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C16H22N4S3 — CID 123501713

IUPAC5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(SCN3CCc4nc(C)sc4C3)sc2C1
InChIInChI=1S/C16H22N4S3/c1-3-19-6-4-13-15(8-19)23-16(18-13)21-10-20-7-5-12-14(9-20)22-11(2)17-12/h3-10H2,1-2H3
InChIKeyWEXFJPSZBZJRRO-UHFFFAOYSA-N
MW366.58 g/mol
LogP3.39
Rot. Bonds4

About 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 123501713) has the molecular formula C16H22N4S3 and a molecular weight of 366.58 g/mol. Its IUPAC name is 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID123501713
Molecular FormulaC16H22N4S3
Molecular Weight366.58 g/mol
Exact Mass366.10
IUPAC Name5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(SCN3CCc4nc(C)sc4C3)sc2C1
InChIInChI=1S/C16H22N4S3/c1-3-19-6-4-13-15(8-19)23-16(18-13)21-10-20-7-5-12-14(9-20)22-11(2)17-12/h3-10H2,1-2H3
InChIKeyWEXFJPSZBZJRRO-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 123501713) is 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CCN1CCc2nc(SCN3CCc4nc(C)sc4C3)sc2C1.
What is the InChIKey of 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is WEXFJPSZBZJRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S3/c1-3-19-6-4-13-15(8-19)23-16(18-13)21-10-20-7-5-12-14(9-20)22-11(2)17-12/h3-10H2,1-2H3.
What are the key properties of 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 366.58 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 123501713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).