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

C15H21N5O3S2 — CID 110214157

IUPAC5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1c(C2CC(C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C
InChIInChI=1S/C15H21N5O3S2/c1-10-12(9-17-19(10)2)13-7-14(20(3)25(22,23)18-13)15(21)16-8-11-5-4-6-24-11/h4-6,9,13-14,18H,7-8H2,1-3H3,(H,16,21)
InChIKeyNLBSOYLOSOSANV-UHFFFAOYSA-N
MW383.50 g/mol
LogP0.69
Rot. Bonds4

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

5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 110214157) has the molecular formula C15H21N5O3S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
PubChem CID110214157
Molecular FormulaC15H21N5O3S2
Molecular Weight383.50 g/mol
Exact Mass383.11
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1c(C2CC(C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C
InChIInChI=1S/C15H21N5O3S2/c1-10-12(9-17-19(10)2)13-7-14(20(3)25(22,23)18-13)15(21)16-8-11-5-4-6-24-11/h4-6,9,13-14,18H,7-8H2,1-3H3,(H,16,21)
InChIKeyNLBSOYLOSOSANV-UHFFFAOYSA-N
XLogP0.69
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5S)-5-(1,5-dimethylpyrazol-4-yl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797892
(3S,5S)-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 99888427
(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 16670792
1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 115177787
N-(4-fluorophenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide;methane
CID 158538913
(3R,5S)-N-(3-hydroxyphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 16670760
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
(3R,5S)-N-(1-butylpyrazol-4-yl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797735
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 53203951
(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide
CID 95797818
3-N-(3-cyano-4-fluorophenyl)-5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dicarboxamide
CID 167380628
(3R,5S)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 46950438

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide (CID 110214157) is 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide is Cc1c(C2CC(C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cnn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is NLBSOYLOSOSANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S2/c1-10-12(9-17-19(10)2)13-7-14(20(3)25(22,23)18-13)15(21)16-8-11-5-4-6-24-11/h4-6,9,13-14,18H,7-8H2,1-3H3,(H,16,21).
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 110214157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).