N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide

C6H8F2N4O2S — CID 146618693

IUPACN-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(N)(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C6H8F2N4O2S/c1-4(13)11-15(9,14)5-2-3-12(10-5)6(7)8/h2-3,6H,1H3,(H2,9,11,13,14)
InChIKeyXYXDKGADEAJTLB-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.53
Rot. Bonds2

About N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide

N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide (PubChem CID 146618693) has the molecular formula C6H8F2N4O2S and a molecular weight of 238.22 g/mol. Its IUPAC name is N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound NameN-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide
PubChem CID146618693
Molecular FormulaC6H8F2N4O2S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC NameN-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(N)(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C6H8F2N4O2S/c1-4(13)11-15(9,14)5-2-3-12(10-5)6(7)8/h2-3,6H,1H3,(H2,9,11,13,14)
InChIKeyXYXDKGADEAJTLB-UHFFFAOYSA-N
XLogP0.53
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide?
The IUPAC name of N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide (CID 146618693) is N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide.
What is the SMILES notation for N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide?
The canonical SMILES for N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide is CC(=O)N=S(N)(=O)c1ccn(C(F)F)n1.
What is the InChIKey of N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide?
The InChIKey is XYXDKGADEAJTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O2S/c1-4(13)11-15(9,14)5-2-3-12(10-5)6(7)8/h2-3,6H,1H3,(H2,9,11,13,14).
What are the key properties of N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide?
N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 238.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[1-(difluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 146618693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).