N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide

C9H13FN2O3S2 — CID 146617691

IUPACN-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(N)(=O)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C9H13FN2O3S2/c1-5(13)12-17(11,15)8-6(10)4-7(16-8)9(2,3)14/h4,14H,1-3H3,(H2,11,12,13,15)
InChIKeyWNZGTZZAPZMRQV-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.36
Rot. Bonds2

About N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide

N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide (PubChem CID 146617691) has the molecular formula C9H13FN2O3S2 and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound NameN-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide
PubChem CID146617691
Molecular FormulaC9H13FN2O3S2
Molecular Weight280.35 g/mol
Exact Mass280.04
IUPAC NameN-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(N)(=O)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C9H13FN2O3S2/c1-5(13)12-17(11,15)8-6(10)4-7(16-8)9(2,3)14/h4,14H,1-3H3,(H2,11,12,13,15)
InChIKeyWNZGTZZAPZMRQV-UHFFFAOYSA-N
XLogP1.36
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide?
The IUPAC name of N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide (CID 146617691) is N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide.
What is the SMILES notation for N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide?
The canonical SMILES for N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide is CC(=O)N=S(N)(=O)c1sc(C(C)(C)O)cc1F.
What is the InChIKey of N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide?
The InChIKey is WNZGTZZAPZMRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S2/c1-5(13)12-17(11,15)8-6(10)4-7(16-8)9(2,3)14/h4,14H,1-3H3,(H2,11,12,13,15).
What are the key properties of N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide?
N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 146617691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).