5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C18H19FN6O2S2 — CID 123892478

IUPAC5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCc1cnn(-c2cc(-c3cc(F)c(C4(C)CS(=O)(=O)N(C)C(N)=N4)s3)ccn2)c1
InChIInChI=1S/C18H19FN6O2S2/c1-11-8-22-25(9-11)15-6-12(4-5-21-15)14-7-13(19)16(28-14)18(2)10-29(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)
InChIKeyOJGHMQGAJTWXOQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.25
Rot. Bonds3

About 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 123892478) has the molecular formula C18H19FN6O2S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID123892478
Molecular FormulaC18H19FN6O2S2
Molecular Weight434.52 g/mol
Exact Mass434.10
IUPAC Name5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCc1cnn(-c2cc(-c3cc(F)c(C4(C)CS(=O)(=O)N(C)C(N)=N4)s3)ccn2)c1
InChIInChI=1S/C18H19FN6O2S2/c1-11-8-22-25(9-11)15-6-12(4-5-21-15)14-7-13(19)16(28-14)18(2)10-29(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)
InChIKeyOJGHMQGAJTWXOQ-UHFFFAOYSA-N
XLogP2.25
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Related Compounds

(5S)-5-[3-fluoro-5-(2-imidazol-1-yl-4-pyridinyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74221920
5-[3-fluoro-5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123996220
(5S)-5-[3-fluoro-5-[3-fluoro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222679
5-[3-fluoro-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123923270
(5S)-5-[3-chloro-5-(5-methyl-3-pyridinyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51352143
5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 75629884
(5S)-5-[3-chloro-7-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 118424783
(5S)-5-[3-chloro-7-[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 118424785
(5S)-5-[3-chloro-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 118406552
5-[3-fluoro-7-[4-(5-methylpyrimidin-2-yl)phenyl]-1-benzothiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123818580
5-[3-chloro-5-(5-phenyl-1H-pyrrol-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123332386
(5S)-5-[3-chloro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51352146

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 123892478) is 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is Cc1cnn(-c2cc(-c3cc(F)c(C4(C)CS(=O)(=O)N(C)C(N)=N4)s3)ccn2)c1.
What is the InChIKey of 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is OJGHMQGAJTWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S2/c1-11-8-22-25(9-11)15-6-12(4-5-21-15)14-7-13(19)16(28-14)18(2)10-29(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23).
What are the key properties of 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 434.52 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-[2-(4-methylpyrazol-1-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 123892478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).