N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

C13H16N4O3S2 — CID 138030631

IUPACN-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)n(C)n1
InChIInChI=1S/C13H16N4O3S2/c1-3-8-6-10(17(2)16-8)12(18)15-13-14-9-4-5-22(19,20)7-11(9)21-13/h6H,3-5,7H2,1-2H3,(H,14,15,18)
InChIKeyDYAVVRXTGGKCLN-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.16
Rot. Bonds3

About N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 138030631) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID138030631
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC NameN-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)n(C)n1
InChIInChI=1S/C13H16N4O3S2/c1-3-8-6-10(17(2)16-8)12(18)15-13-14-9-4-5-22(19,20)7-11(9)21-13/h6H,3-5,7H2,1-2H3,(H,14,15,18)
InChIKeyDYAVVRXTGGKCLN-UHFFFAOYSA-N
XLogP1.16
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 138030631) is N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)n(C)n1.
What is the InChIKey of N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is DYAVVRXTGGKCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-3-8-6-10(17(2)16-8)12(18)15-13-14-9-4-5-22(19,20)7-11(9)21-13/h6H,3-5,7H2,1-2H3,(H,14,15,18).
What are the key properties of N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 138030631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).