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

C18H21N5O2S — CID 17148997

IUPACN-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)o1
InChIInChI=1S/C18H21N5O2S/c1-13-2-4-15(25-13)11-22-6-8-23(9-7-22)12-18(24)19-14-3-5-16-17(10-14)21-26-20-16/h2-5,10H,6-9,11-12H2,1H3,(H,19,24)
InChIKeyZGTZBEQRADSMNA-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.35
Rot. Bonds5

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

N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 17148997) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID17148997
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)o1
InChIInChI=1S/C18H21N5O2S/c1-13-2-4-15(25-13)11-22-6-8-23(9-7-22)12-18(24)19-14-3-5-16-17(10-14)21-26-20-16/h2-5,10H,6-9,11-12H2,1H3,(H,19,24)
InChIKeyZGTZBEQRADSMNA-UHFFFAOYSA-N
XLogP2.35
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide (CID 17148997) is N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide is Cc1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)o1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ZGTZBEQRADSMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-13-2-4-15(25-13)11-22-6-8-23(9-7-22)12-18(24)19-14-3-5-16-17(10-14)21-26-20-16/h2-5,10H,6-9,11-12H2,1H3,(H,19,24).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide?
N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 371.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17148997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).