1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone

C17H27N5OS — CID 71866352

IUPAC1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2nc(C3CC3)ns2)CC1)N1CCCCCC1
InChIInChI=1S/C17H27N5OS/c23-15(21-7-3-1-2-4-8-21)13-20-9-11-22(12-10-20)17-18-16(19-24-17)14-5-6-14/h14H,1-13H2
InChIKeyRIIJMBZWKAMTPL-UHFFFAOYSA-N
MW349.50 g/mol
LogP1.94
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 71866352) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID71866352
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC Name1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2nc(C3CC3)ns2)CC1)N1CCCCCC1
InChIInChI=1S/C17H27N5OS/c23-15(21-7-3-1-2-4-8-21)13-20-9-11-22(12-10-20)17-18-16(19-24-17)14-5-6-14/h14H,1-13H2
InChIKeyRIIJMBZWKAMTPL-UHFFFAOYSA-N
XLogP1.94
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (CID 71866352) is 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2nc(C3CC3)ns2)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is RIIJMBZWKAMTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS/c23-15(21-7-3-1-2-4-8-21)13-20-9-11-22(12-10-20)17-18-16(19-24-17)14-5-6-14/h14H,1-13H2.
What are the key properties of 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 349.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71866352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).