5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide

C14H25N5O4S — CID 110214207

IUPAC5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2cn(C)nc2C)NS(=O)(=O)N1C
InChIInChI=1S/C14H25N5O4S/c1-9(8-23-5)15-14(20)13-6-12(17-24(21,22)19(13)4)11-7-18(3)16-10(11)2/h7,9,12-13,17H,6,8H2,1-5H3,(H,15,20)
InChIKeyBQALVVZJLOMHLX-UHFFFAOYSA-N
MW359.45 g/mol
LogP-0.54
Rot. Bonds5

About 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide

5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 110214207) has the molecular formula C14H25N5O4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
PubChem CID110214207
Molecular FormulaC14H25N5O4S
Molecular Weight359.45 g/mol
Exact Mass359.16
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2cn(C)nc2C)NS(=O)(=O)N1C
InChIInChI=1S/C14H25N5O4S/c1-9(8-23-5)15-14(20)13-6-12(17-24(21,22)19(13)4)11-7-18(3)16-10(11)2/h7,9,12-13,17H,6,8H2,1-5H3,(H,15,20)
InChIKeyBQALVVZJLOMHLX-UHFFFAOYSA-N
XLogP-0.54
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797822
5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 110214210
N-(2,4-difluorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 110214181
(3R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797881
3,4-dihydro-1H-isoquinolin-2-yl-[5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 110214206
(3R,5S)-5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(1-propylpyrazol-4-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 95849296
N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
CID 73421866
N-(5-chloro-2-hydroxyphenyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 110214144
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 75666383
3-(2-hydroxyphenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158148
(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093706

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (CID 110214207) is 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide is COCC(C)NC(=O)C1CC(c2cn(C)nc2C)NS(=O)(=O)N1C.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is BQALVVZJLOMHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O4S/c1-9(8-23-5)15-14(20)13-6-12(17-24(21,22)19(13)4)11-7-18(3)16-10(11)2/h7,9,12-13,17H,6,8H2,1-5H3,(H,15,20).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?
5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 110214207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).