2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H15N5OS — CID 42554843

IUPAC2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc2nsnc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H15N5OS/c22-16(12-4-3-5-13-15(12)19-23-18-13)21-10-8-20(9-11-21)14-6-1-2-7-17-14/h1-7H,8-11H2
InChIKeyCSVJGVDZAXWRKF-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.05
Rot. Bonds2

About 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 42554843) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID42554843
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc2nsnc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H15N5OS/c22-16(12-4-3-5-13-15(12)19-23-18-13)21-10-8-20(9-11-21)14-6-1-2-7-17-14/h1-7H,8-11H2
InChIKeyCSVJGVDZAXWRKF-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 2933523
N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
[3-[(4-amino-1,2,5-thiadiazol-3-yl)amino]-2-hydroxyphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[3-[[4-(2,3-dichloroanilino)-1,2,5-thiadiazol-3-yl]amino]-2-hydroxyphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 158660989
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 42554843) is 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc2nsnc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CSVJGVDZAXWRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-16(12-4-3-5-13-15(12)19-23-18-13)21-10-8-20(9-11-21)14-6-1-2-7-17-14/h1-7H,8-11H2.
What are the key properties of 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 325.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42554843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).