2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride

C6H7FN2O3S2 — CID 165459713

IUPAC2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride
SMILESCCC(=O)Nc1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C6H7FN2O3S2/c1-2-4(10)9-6-8-3-5(13-6)14(7,11)12/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXXIDHLQUOFGBDF-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.15
Rot. Bonds3

About 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride

2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 165459713) has the molecular formula C6H7FN2O3S2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride
PubChem CID165459713
Molecular FormulaC6H7FN2O3S2
Molecular Weight238.26 g/mol
Exact Mass237.99
IUPAC Name2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride
SMILESCCC(=O)Nc1ncc(S(=O)(=O)F)s1
InChIInChI=1S/C6H7FN2O3S2/c1-2-4(10)9-6-8-3-5(13-6)14(7,11)12/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXXIDHLQUOFGBDF-UHFFFAOYSA-N
XLogP1.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetamido-1,3-thiazole-5-sulfonyl chloride
CID 350261
N-(5-sulfamoyl-1,3-thiazol-2-yl)acetamide
CID 21957442
N-(5-fluorothiazol-2-yl)acetamide
CID 45121693
2-Acetamino-5-thiocyanatothiazole
CID 15346341
S-(2-(Acetylamino)-5-thiazolyl) ethanethioate
CID 22481077
N-(5-fluoro-1,3-thiazol-2-yl)propanamide
CID 126988627
N-(5-(piperidin-1-ylsulfonyl)thiazol-2-yl)acetamide
CID 42560670
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
N-[5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]acetamide
CID 21852993
2-[2-(N-methylmethanesulfonamido)acetamido]-1,3-thiazole-5-sulfonyl fluoride
CID 126829959
methyl N-(3-{[5-(fluorosulfonyl)-1,3-thiazol-2-yl]carbamoyl}propyl)-N-methylcarbamate
CID 126829961
N-(5-fluoro-1,3-thiazol-2-yl)-2-methylpropanamide
CID 130621546

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride (CID 165459713) is 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride is CCC(=O)Nc1ncc(S(=O)(=O)F)s1.
What is the InChIKey of 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is XXIDHLQUOFGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3S2/c1-2-4(10)9-6-8-3-5(13-6)14(7,11)12/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride?
2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 238.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 165459713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).