5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

C18H23N5O2S — CID 130366107

IUPAC5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(N2CCN(C(C)c3ccc4c(c3)OCC4)CC2)s1
InChIInChI=1S/C18H23N5O2S/c1-12(14-4-3-13-5-10-25-15(13)11-14)22-6-8-23(9-7-22)18-21-20-17(26-18)16(24)19-2/h3-4,11-12H,5-10H2,1-2H3,(H,19,24)
InChIKeyJFOGQALZVCWCOT-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.72
Rot. Bonds4

About 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 130366107) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID130366107
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(N2CCN(C(C)c3ccc4c(c3)OCC4)CC2)s1
InChIInChI=1S/C18H23N5O2S/c1-12(14-4-3-13-5-10-25-15(13)11-14)22-6-8-23(9-7-22)18-21-20-17(26-18)16(24)19-2/h3-4,11-12H,5-10H2,1-2H3,(H,19,24)
InChIKeyJFOGQALZVCWCOT-UHFFFAOYSA-N
XLogP1.72
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 130366107) is 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is CNC(=O)c1nnc(N2CCN(C(C)c3ccc4c(c3)OCC4)CC2)s1.
What is the InChIKey of 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JFOGQALZVCWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12(14-4-3-13-5-10-25-15(13)11-14)22-6-8-23(9-7-22)18-21-20-17(26-18)16(24)19-2/h3-4,11-12H,5-10H2,1-2H3,(H,19,24).
What are the key properties of 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 130366107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).