N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide

C18H15N5O3S — CID 142535768

IUPACN-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(NCCc1ccccc1-c1n[nH]c(=O)o1)C1=Nc2ccccc2SN1
InChIInChI=1S/C18H15N5O3S/c24-16(15-20-13-7-3-4-8-14(13)27-23-15)19-10-9-11-5-1-2-6-12(11)17-21-22-18(25)26-17/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,22,25)
InChIKeyDFPHJKHQMTXPFJ-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.03
Rot. Bonds5

About N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide

N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide (PubChem CID 142535768) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide
PubChem CID142535768
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(NCCc1ccccc1-c1n[nH]c(=O)o1)C1=Nc2ccccc2SN1
InChIInChI=1S/C18H15N5O3S/c24-16(15-20-13-7-3-4-8-14(13)27-23-15)19-10-9-11-5-1-2-6-12(11)17-21-22-18(25)26-17/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,22,25)
InChIKeyDFPHJKHQMTXPFJ-UHFFFAOYSA-N
XLogP2.03
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[2-[2-(hydroxymethyl)phenyl]ethyl]-7-methyl-2H-1,2,4-benzothiadiazine-3-carboxamide
CID 142535607
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832022
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 39431668
N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482293
N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702006
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 46920502
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91821697

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide (CID 142535768) is N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide is O=C(NCCc1ccccc1-c1n[nH]c(=O)o1)C1=Nc2ccccc2SN1.
What is the InChIKey of N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is DFPHJKHQMTXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c24-16(15-20-13-7-3-4-8-14(13)27-23-15)19-10-9-11-5-1-2-6-12(11)17-21-22-18(25)26-17/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,22,25).
What are the key properties of N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide?
N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 142535768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).