(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone

C14H14ClN3OS — CID 80625752

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1nnc(Cl)s1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C14H14ClN3OS/c15-14-17-16-12(20-14)13(19)18-8-6-11(7-9-18)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyXLFSWLYHJZNBOA-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.21
Rot. Bonds2

About (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone

(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 80625752) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID80625752
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1nnc(Cl)s1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C14H14ClN3OS/c15-14-17-16-12(20-14)13(19)18-8-6-11(7-9-18)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyXLFSWLYHJZNBOA-UHFFFAOYSA-N
XLogP3.21
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone (CID 80625752) is (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone is O=C(c1nnc(Cl)s1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is XLFSWLYHJZNBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-14-17-16-12(20-14)13(19)18-8-6-11(7-9-18)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 307.81 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 80625752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).