3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide

C17H11F3N4OS2 — CID 153394604

IUPAC3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccc2c(c1)SNC(c1cscn1)N2
InChIInChI=1S/C17H11F3N4OS2/c18-10-4-9(5-11(19)15(10)20)22-17(25)8-1-2-12-14(3-8)27-24-16(23-12)13-6-26-7-21-13/h1-7,16,23-24H,(H,22,25)
InChIKeyJZSKXXUUPBOLIE-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.53
Rot. Bonds3

About 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide

3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide (PubChem CID 153394604) has the molecular formula C17H11F3N4OS2 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide.

Molecular Properties

Compound Name3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide
PubChem CID153394604
Molecular FormulaC17H11F3N4OS2
Molecular Weight408.43 g/mol
Exact Mass408.03
IUPAC Name3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccc2c(c1)SNC(c1cscn1)N2
InChIInChI=1S/C17H11F3N4OS2/c18-10-4-9(5-11(19)15(10)20)22-17(25)8-1-2-12-14(3-8)27-24-16(23-12)13-6-26-7-21-13/h1-7,16,23-24H,(H,22,25)
InChIKeyJZSKXXUUPBOLIE-UHFFFAOYSA-N
XLogP4.53
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-dioxo-3-pyrimidin-2-yl-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 146301247
3-methyl-3-pyridin-4-yl-N-(3,4,5-trifluorophenyl)-2,4-dihydro-1,2,4-benzothiadiazine-7-carboxamide
CID 153394631
2-(4-hydroxycyclohexyl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-1,2,4-benzothiadiazine-7-carboxamide
CID 146304050
3-(2,6-difluorophenyl)-1-oxo-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ4,2,4-benzothiadiazine-7-carboxamide
CID 146304039
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
1,1-dioxo-3-pyridin-3-yl-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 146301263
3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 55118892
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
2-(4-nitrophenyl)-N-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]acetamide
CID 91399730
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
CID 91570257
1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
CID 91505728

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide?
The IUPAC name of 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide (CID 153394604) is 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide.
What is the SMILES notation for 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide?
The canonical SMILES for 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)c1ccc2c(c1)SNC(c1cscn1)N2.
What is the InChIKey of 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide?
The InChIKey is JZSKXXUUPBOLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4OS2/c18-10-4-9(5-11(19)15(10)20)22-17(25)8-1-2-12-14(3-8)27-24-16(23-12)13-6-26-7-21-13/h1-7,16,23-24H,(H,22,25).
What are the key properties of 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide?
3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide is sourced from PubChem (CID 153394604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).