2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole

C13H15N3S4 — CID 2802802

IUPAC2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESc1cc(CSC2=NCCS2)nc(CSC2=NCCS2)c1
InChIInChI=1S/C13H15N3S4/c1-2-10(8-19-12-14-4-6-17-12)16-11(3-1)9-20-13-15-5-7-18-13/h1-3H,4-9H2
InChIKeyXSZGOBBSFFXDSF-UHFFFAOYSA-N
MW341.55 g/mol
LogP3.75
Rot. Bonds4

About 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole

2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 2802802) has the molecular formula C13H15N3S4 and a molecular weight of 341.55 g/mol. Its IUPAC name is 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID2802802
Molecular FormulaC13H15N3S4
Molecular Weight341.55 g/mol
Exact Mass341.01
IUPAC Name2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESc1cc(CSC2=NCCS2)nc(CSC2=NCCS2)c1
InChIInChI=1S/C13H15N3S4/c1-2-10(8-19-12-14-4-6-17-12)16-11(3-1)9-20-13-15-5-7-18-13/h1-3H,4-9H2
InChIKeyXSZGOBBSFFXDSF-UHFFFAOYSA-N
XLogP3.75
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole (CID 2802802) is 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole is c1cc(CSC2=NCCS2)nc(CSC2=NCCS2)c1.
What is the InChIKey of 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is XSZGOBBSFFXDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S4/c1-2-10(8-19-12-14-4-6-17-12)16-11(3-1)9-20-13-15-5-7-18-13/h1-3H,4-9H2.
What are the key properties of 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole?
2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 341.55 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 2802802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).