1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone

C18H21N3OS — CID 30864155

IUPAC1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C18H21N3OS/c22-16(12-13-4-2-1-3-5-13)21-10-8-15(9-11-21)18-20-19-17(23-18)14-6-7-14/h1-5,14-15H,6-12H2
InChIKeyZQFOUTQIGNJDNA-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.36
Rot. Bonds4

About 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone

1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 30864155) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID30864155
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C18H21N3OS/c22-16(12-13-4-2-1-3-5-13)21-10-8-15(9-11-21)18-20-19-17(23-18)14-6-7-14/h1-5,14-15H,6-12H2
InChIKeyZQFOUTQIGNJDNA-UHFFFAOYSA-N
XLogP3.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone (CID 30864155) is 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is ZQFOUTQIGNJDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-16(12-13-4-2-1-3-5-13)21-10-8-15(9-11-21)18-20-19-17(23-18)14-6-7-14/h1-5,14-15H,6-12H2.
What are the key properties of 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone?
1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 327.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 30864155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).