3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C16H19ClN4OS — CID 1402776

IUPAC3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCCCC2)s1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4OS/c17-13-6-4-5-12(11-13)15(22)18-16-20-19-14(23-16)7-10-21-8-2-1-3-9-21/h4-6,11H,1-3,7-10H2,(H,18,20,22)
InChIKeyIESHYRDTZCVLQB-UHFFFAOYSA-N
MW350.88 g/mol
LogP3.47
Rot. Bonds5

About 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1402776) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1402776
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCCCC2)s1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4OS/c17-13-6-4-5-12(11-13)15(22)18-16-20-19-14(23-16)7-10-21-8-2-1-3-9-21/h4-6,11H,1-3,7-10H2,(H,18,20,22)
InChIKeyIESHYRDTZCVLQB-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1402776) is 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCN2CCCCC2)s1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is IESHYRDTZCVLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c17-13-6-4-5-12(11-13)15(22)18-16-20-19-14(23-16)7-10-21-8-2-1-3-9-21/h4-6,11H,1-3,7-10H2,(H,18,20,22).
What are the key properties of 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 350.88 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1402776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).