2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C17H22ClN5OS — CID 6465295

IUPAC2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C17H22ClN5OS/c1-2-16-20-21-17(25-16)19-15(24)12-23-8-6-22(7-9-23)11-13-4-3-5-14(18)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,19,21,24)
InChIKeyRKKLNEKPOGDSRA-UHFFFAOYSA-N
MW379.92 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6465295) has the molecular formula C17H22ClN5OS and a molecular weight of 379.92 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6465295
Molecular FormulaC17H22ClN5OS
Molecular Weight379.92 g/mol
Exact Mass379.12
IUPAC Name2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C17H22ClN5OS/c1-2-16-20-21-17(25-16)19-15(24)12-23-8-6-22(7-9-23)11-13-4-3-5-14(18)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,19,21,24)
InChIKeyRKKLNEKPOGDSRA-UHFFFAOYSA-N
XLogP2.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.92
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6465295) is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)s1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RKKLNEKPOGDSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5OS/c1-2-16-20-21-17(25-16)19-15(24)12-23-8-6-22(7-9-23)11-13-4-3-5-14(18)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,19,21,24).
What are the key properties of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 379.92 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6465295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).