N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide

C15H12ClN3O2S2 — CID 156570159

IUPACN-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2cccc(Cl)c2)=CC(c2cccs2)=NS1=O
InChIInChI=1S/C15H12ClN3O2S2/c1-19-13(15(20)17-11-5-2-4-10(16)8-11)9-12(18-23(19)21)14-6-3-7-22-14/h2-9H,1H3,(H,17,20)
InChIKeyZJGLTOPCFXXOAH-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.24
Rot. Bonds3

About N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide

N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide (PubChem CID 156570159) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
PubChem CID156570159
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC NameN-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2cccc(Cl)c2)=CC(c2cccs2)=NS1=O
InChIInChI=1S/C15H12ClN3O2S2/c1-19-13(15(20)17-11-5-2-4-10(16)8-11)9-12(18-23(19)21)14-6-3-7-22-14/h2-9H,1H3,(H,17,20)
InChIKeyZJGLTOPCFXXOAH-UHFFFAOYSA-N
XLogP3.24
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
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N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
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N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
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N-(3-chlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1079601
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide (CID 156570159) is N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)Nc2cccc(Cl)c2)=CC(c2cccs2)=NS1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is ZJGLTOPCFXXOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c1-19-13(15(20)17-11-5-2-4-10(16)8-11)9-12(18-23(19)21)14-6-3-7-22-14/h2-9H,1H3,(H,17,20).
What are the key properties of N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 365.87 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 156570159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).