6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C19H18N4S2 — CID 15954503

IUPAC6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCC2)cc1
InChIInChI=1S/C19H18N4S2/c1-2-7-14(8-3-1)17-15(13-22-10-4-5-11-22)23-19(20-17)25-18(21-23)16-9-6-12-24-16/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyXPEPGGQUXRDULM-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.78
Rot. Bonds4

About 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole

6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 15954503) has the molecular formula C19H18N4S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID15954503
Molecular FormulaC19H18N4S2
Molecular Weight366.51 g/mol
Exact Mass366.10
IUPAC Name6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCC2)cc1
InChIInChI=1S/C19H18N4S2/c1-2-7-14(8-3-1)17-15(13-22-10-4-5-11-22)23-19(20-17)25-18(21-23)16-9-6-12-24-16/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyXPEPGGQUXRDULM-UHFFFAOYSA-N
XLogP4.78
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 15954503) is 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2nc3sc(-c4cccs4)nn3c2CN2CCCC2)cc1.
What is the InChIKey of 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is XPEPGGQUXRDULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S2/c1-2-7-14(8-3-1)17-15(13-22-10-4-5-11-22)23-19(20-17)25-18(21-23)16-9-6-12-24-16/h1-3,6-9,12H,4-5,10-11,13H2.
What are the key properties of 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 366.51 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-(pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 15954503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).