N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide

C20H23N5OS — CID 139505534

IUPACN-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide
SMILESCc1ccc(C(CN2CCNCC2)C(=O)Nc2ccc3nnsc3c2)cc1
InChIInChI=1S/C20H23N5OS/c1-14-2-4-15(5-3-14)17(13-25-10-8-21-9-11-25)20(26)22-16-6-7-18-19(12-16)27-24-23-18/h2-7,12,17,21H,8-11,13H2,1H3,(H,22,26)
InChIKeyINTGXQZXBXJYCS-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.63
Rot. Bonds5

About N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide

N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide (PubChem CID 139505534) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide
PubChem CID139505534
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide
SMILESCc1ccc(C(CN2CCNCC2)C(=O)Nc2ccc3nnsc3c2)cc1
InChIInChI=1S/C20H23N5OS/c1-14-2-4-15(5-3-14)17(13-25-10-8-21-9-11-25)20(26)22-16-6-7-18-19(12-16)27-24-23-18/h2-7,12,17,21H,8-11,13H2,1H3,(H,22,26)
InChIKeyINTGXQZXBXJYCS-UHFFFAOYSA-N
XLogP2.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide?
The IUPAC name of N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide (CID 139505534) is N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide is Cc1ccc(C(CN2CCNCC2)C(=O)Nc2ccc3nnsc3c2)cc1.
What is the InChIKey of N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide?
The InChIKey is INTGXQZXBXJYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-2-4-15(5-3-14)17(13-25-10-8-21-9-11-25)20(26)22-16-6-7-18-19(12-16)27-24-23-18/h2-7,12,17,21H,8-11,13H2,1H3,(H,22,26).
What are the key properties of N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide?
N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide has a molecular weight of 381.51 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3-benzothiadiazol-6-yl)-2-(4-methylphenyl)-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 139505534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).