N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide

C15H20N4OS — CID 2986422

IUPACN-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1c(NC(=O)CN2CCCC(C)C2)ccc2nsnc12
InChIInChI=1S/C15H20N4OS/c1-10-4-3-7-19(8-10)9-14(20)16-12-5-6-13-15(11(12)2)18-21-17-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,20)
InChIKeyQROWVZGJWNTOKO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.67
Rot. Bonds3

About N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide

N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 2986422) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID2986422
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1c(NC(=O)CN2CCCC(C)C2)ccc2nsnc12
InChIInChI=1S/C15H20N4OS/c1-10-4-3-7-19(8-10)9-14(20)16-12-5-6-13-15(11(12)2)18-21-17-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,20)
InChIKeyQROWVZGJWNTOKO-UHFFFAOYSA-N
XLogP2.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide (CID 2986422) is N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide is Cc1c(NC(=O)CN2CCCC(C)C2)ccc2nsnc12.
What is the InChIKey of N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is QROWVZGJWNTOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-4-3-7-19(8-10)9-14(20)16-12-5-6-13-15(11(12)2)18-21-17-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,20).
What are the key properties of N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 2986422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).