N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide

C20H14F2N4O3S3 — CID 2541524

IUPACN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESCc1sc(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H14F2N4O3S3/c1-10-17(11-2-4-13(21)14(22)8-11)23-19(30-10)24-18(27)12-3-5-15-16(9-12)31-20-25-32(28,29)7-6-26(15)20/h2-5,8-9H,6-7H2,1H3,(H,23,24,27)
InChIKeyWRUBOBBUMKRLLU-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.26
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (PubChem CID 2541524) has the molecular formula C20H14F2N4O3S3 and a molecular weight of 492.55 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
PubChem CID2541524
Molecular FormulaC20H14F2N4O3S3
Molecular Weight492.55 g/mol
Exact Mass492.02
IUPAC NameN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESCc1sc(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H14F2N4O3S3/c1-10-17(11-2-4-13(21)14(22)8-11)23-19(30-10)24-18(27)12-3-5-15-16(9-12)31-20-25-32(28,29)7-6-26(15)20/h2-5,8-9H,6-7H2,1H3,(H,23,24,27)
InChIKeyWRUBOBBUMKRLLU-UHFFFAOYSA-N
XLogP4.26
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 8744530
N-(3-methylbutan-2-yl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 17408899
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 24648633
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 18274113
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55341227
2,2-dioxo-N'-(pyridine-3-carbonyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbohydrazide
CID 55343151
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate
CID 17422309
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55637878
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 24648632
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55948039
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 24648672
[2-(2-methylpropylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate
CID 7603670

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (CID 2541524) is N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is Cc1sc(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The InChIKey is WRUBOBBUMKRLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3S3/c1-10-17(11-2-4-13(21)14(22)8-11)23-19(30-10)24-18(27)12-3-5-15-16(9-12)31-20-25-32(28,29)7-6-26(15)20/h2-5,8-9H,6-7H2,1H3,(H,23,24,27).
What are the key properties of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is sourced from PubChem (CID 2541524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).