N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide

C7H11FN4O2S — CID 146617724

IUPACN-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide
SMILESCCn1cc(F)c(S(N)(=O)=NC(C)=O)n1
InChIInChI=1S/C7H11FN4O2S/c1-3-12-4-6(8)7(10-12)15(9,14)11-5(2)13/h4H,3H2,1-2H3,(H2,9,11,13,14)
InChIKeySKDIASDJVCYOJC-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.29
Rot. Bonds2

About N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide

N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide (PubChem CID 146617724) has the molecular formula C7H11FN4O2S and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound NameN-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide
PubChem CID146617724
Molecular FormulaC7H11FN4O2S
Molecular Weight234.26 g/mol
Exact Mass234.06
IUPAC NameN-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide
SMILESCCn1cc(F)c(S(N)(=O)=NC(C)=O)n1
InChIInChI=1S/C7H11FN4O2S/c1-3-12-4-6(8)7(10-12)15(9,14)11-5(2)13/h4H,3H2,1-2H3,(H2,9,11,13,14)
InChIKeySKDIASDJVCYOJC-UHFFFAOYSA-N
XLogP0.29
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide?
The IUPAC name of N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide (CID 146617724) is N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide.
What is the SMILES notation for N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide?
The canonical SMILES for N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide is CCn1cc(F)c(S(N)(=O)=NC(C)=O)n1.
What is the InChIKey of N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide?
The InChIKey is SKDIASDJVCYOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2S/c1-3-12-4-6(8)7(10-12)15(9,14)11-5(2)13/h4H,3H2,1-2H3,(H2,9,11,13,14).
What are the key properties of N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide?
N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 234.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 146617724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).