[6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C19H19N3O2S2 — CID 38081729

IUPAC[6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2nc(CSc3ccc(C(=O)N4CCCC4)cn3)cs2)o1
InChIInChI=1S/C19H19N3O2S2/c1-13-4-6-16(24-13)18-21-15(12-26-18)11-25-17-7-5-14(10-20-17)19(23)22-8-2-3-9-22/h4-7,10,12H,2-3,8-9,11H2,1H3
InChIKeyVOZKJNKMMHFIGV-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.63
Rot. Bonds5

About [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 38081729) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID38081729
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name[6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2nc(CSc3ccc(C(=O)N4CCCC4)cn3)cs2)o1
InChIInChI=1S/C19H19N3O2S2/c1-13-4-6-16(24-13)18-21-15(12-26-18)11-25-17-7-5-14(10-20-17)19(23)22-8-2-3-9-22/h4-7,10,12H,2-3,8-9,11H2,1H3
InChIKeyVOZKJNKMMHFIGV-UHFFFAOYSA-N
XLogP4.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 38081729) is [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1ccc(-c2nc(CSc3ccc(C(=O)N4CCCC4)cn3)cs2)o1.
What is the InChIKey of [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VOZKJNKMMHFIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-13-4-6-16(24-13)18-21-15(12-26-18)11-25-17-7-5-14(10-20-17)19(23)22-8-2-3-9-22/h4-7,10,12H,2-3,8-9,11H2,1H3.
What are the key properties of [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 385.51 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 38081729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).