(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

C16H24N2O4S2 — CID 128669706

IUPAC(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CC(C)C)c(C(=O)N2CCS(=O)(=O)C3COCCC32)s1
InChIInChI=1S/C16H24N2O4S2/c1-10(2)8-12-15(23-11(3)17-12)16(19)18-5-7-24(20,21)14-9-22-6-4-13(14)18/h10,13-14H,4-9H2,1-3H3
InChIKeyPNRYTWVEXGSIQV-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.68
Rot. Bonds3

About (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone (PubChem CID 128669706) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
PubChem CID128669706
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC Name(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CC(C)C)c(C(=O)N2CCS(=O)(=O)C3COCCC32)s1
InChIInChI=1S/C16H24N2O4S2/c1-10(2)8-12-15(23-11(3)17-12)16(19)18-5-7-24(20,21)14-9-22-6-4-13(14)18/h10,13-14H,4-9H2,1-3H3
InChIKeyPNRYTWVEXGSIQV-UHFFFAOYSA-N
XLogP1.68
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
CID 119043710
[(3R)-3-aminopiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124594351
[3-(methylamino)piperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 119493981
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124590623
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124590625
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124613378
(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-(1-ethylindol-3-yl)methanone
CID 128669907
1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356399
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
CID 77090670
N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110003363
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 109400415
N-(2-amino-2-methylpropyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 119630789

Frequently Asked Questions

What is the IUPAC name of (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone (CID 128669706) is (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone is Cc1nc(CC(C)C)c(C(=O)N2CCS(=O)(=O)C3COCCC32)s1.
What is the InChIKey of (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is PNRYTWVEXGSIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-10(2)8-12-15(23-11(3)17-12)16(19)18-5-7-24(20,21)14-9-22-6-4-13(14)18/h10,13-14H,4-9H2,1-3H3.
What are the key properties of (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 372.51 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 128669706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).