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

C16H20ClN5OS — CID 6465823

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)s1
InChIInChI=1S/C16H20ClN5OS/c1-12-19-20-16(24-12)18-15(23)11-22-8-6-21(7-9-22)10-13-4-2-3-5-14(13)17/h2-5H,6-11H2,1H3,(H,18,20,23)
InChIKeyONHVILZBWFFDKG-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.26
Rot. Bonds5

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

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6465823) has the molecular formula C16H20ClN5OS and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6465823
Molecular FormulaC16H20ClN5OS
Molecular Weight365.89 g/mol
Exact Mass365.11
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)s1
InChIInChI=1S/C16H20ClN5OS/c1-12-19-20-16(24-12)18-15(23)11-22-8-6-21(7-9-22)10-13-4-2-3-5-14(13)17/h2-5H,6-11H2,1H3,(H,18,20,23)
InChIKeyONHVILZBWFFDKG-UHFFFAOYSA-N
XLogP2.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6465823) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)s1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ONHVILZBWFFDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5OS/c1-12-19-20-16(24-12)18-15(23)11-22-8-6-21(7-9-22)10-13-4-2-3-5-14(13)17/h2-5H,6-11H2,1H3,(H,18,20,23).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 365.89 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6465823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).