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

C8H12FN3O3S2 — CID 146617477

IUPAC[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea
SMILESCC(C)(O)c1cc(F)c(S(N)(=O)=NC(N)=O)s1
InChIInChI=1S/C8H12FN3O3S2/c1-8(2,14)5-3-4(9)6(16-5)17(11,15)12-7(10)13/h3,14H,1-2H3,(H4,10,11,12,13,15)
InChIKeyUWXFPBGWRQNQTE-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.89
Rot. Bonds2

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

[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea (PubChem CID 146617477) has the molecular formula C8H12FN3O3S2 and a molecular weight of 281.33 g/mol. Its IUPAC name is [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea.

Molecular Properties

Compound Name[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea
PubChem CID146617477
Molecular FormulaC8H12FN3O3S2
Molecular Weight281.33 g/mol
Exact Mass281.03
IUPAC Name[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea
SMILESCC(C)(O)c1cc(F)c(S(N)(=O)=NC(N)=O)s1
InChIInChI=1S/C8H12FN3O3S2/c1-8(2,14)5-3-4(9)6(16-5)17(11,15)12-7(10)13/h3,14H,1-2H3,(H4,10,11,12,13,15)
InChIKeyUWXFPBGWRQNQTE-UHFFFAOYSA-N
XLogP0.89
TPSA118.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 137459115
3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 142522466
[Amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]carbamic acid
CID 146570500
3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid
CID 146570527
tert-butyl N-[(S)-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinyl]carbamate
CID 146570539
(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 146570551
[3-Fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid
CID 146570580
2-[5-(Aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
CID 146571381
5-(1,2-Dihydroxypropan-2-yl)-3-fluorothiophene-2-sulfonamide
CID 146571389
5-[(2S)-1,2-dihydroxypropan-2-yl]-3-fluorothiophene-2-sulfonamide
CID 146571390
[[3-Fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-(methylamino)-oxo-lambda6-sulfanylidene]urea
CID 146617433
N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]acetamide
CID 146617691

Frequently Asked Questions

What is the IUPAC name of [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea?
The IUPAC name of [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea (CID 146617477) is [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea.
What is the SMILES notation for [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea?
The canonical SMILES for [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea is CC(C)(O)c1cc(F)c(S(N)(=O)=NC(N)=O)s1.
What is the InChIKey of [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea?
The InChIKey is UWXFPBGWRQNQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O3S2/c1-8(2,14)5-3-4(9)6(16-5)17(11,15)12-7(10)13/h3,14H,1-2H3,(H4,10,11,12,13,15).
What are the key properties of [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea?
[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea has a molecular weight of 281.33 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]urea is sourced from PubChem (CID 146617477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).