N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide

C15H15FN4O3S2 — CID 122244042

IUPACN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C
InChIInChI=1S/C15H15FN4O3S2/c1-19-12-7-10(16)11(8-13(12)20(2)25(19,22)23)18-14(21)9-5-4-6-17-15(9)24-3/h4-8H,1-3H3,(H,18,21)
InChIKeyRYCSTYZOHPQARX-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.33
Rot. Bonds3

About N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide

N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 122244042) has the molecular formula C15H15FN4O3S2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID122244042
Molecular FormulaC15H15FN4O3S2
Molecular Weight382.44 g/mol
Exact Mass382.06
IUPAC NameN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C
InChIInChI=1S/C15H15FN4O3S2/c1-19-12-7-10(16)11(8-13(12)20(2)25(19,22)23)18-14(21)9-5-4-6-17-15(9)24-3/h4-8H,1-3H3,(H,18,21)
InChIKeyRYCSTYZOHPQARX-UHFFFAOYSA-N
XLogP2.33
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43442788
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171778
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 122243988
6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 61318585
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
3,3,3-trifluoro-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)propanamide
CID 122244036
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 122244042) is N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C.
What is the InChIKey of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is RYCSTYZOHPQARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S2/c1-19-12-7-10(16)11(8-13(12)20(2)25(19,22)23)18-14(21)9-5-4-6-17-15(9)24-3/h4-8H,1-3H3,(H,18,21).
What are the key properties of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 122244042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).