1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide

C4H3F3N2O2S2 — CID 154088017

IUPAC1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Nc1nccs1)C(F)(F)F
InChIInChI=1S/C4H3F3N2O2S2/c5-4(6,7)13(10,11)9-3-8-1-2-12-3/h1-2H,(H,8,9)
InChIKeyDQIAQSIPHLELGN-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.40
Rot. Bonds2

About 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 154088017) has the molecular formula C4H3F3N2O2S2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
PubChem CID154088017
Molecular FormulaC4H3F3N2O2S2
Molecular Weight232.21 g/mol
Exact Mass231.96
IUPAC Name1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Nc1nccs1)C(F)(F)F
InChIInChI=1S/C4H3F3N2O2S2/c5-4(6,7)13(10,11)9-3-8-1-2-12-3/h1-2H,(H,8,9)
InChIKeyDQIAQSIPHLELGN-UHFFFAOYSA-N
XLogP1.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiazolamine, sulfate (1:1)
CID 113363
n-butyl-N-2-thiazolylsulfonamide
CID 9117500
2-Trifluorothioacetylaminothiazole
CID 5376017
1,3-Thiazol-2-ylsulfamic acid
CID 231063
2-(Sulfinatoamino)-1,3-thiazole
CID 57139139
1,3-Thiazol-2-amine;2,2,2-trifluoroacetamide
CID 21952182
N-fluoro-1,3-thiazol-2-amine
CID 87136394
N-(trifluoromethyl)-1,3-thiazol-2-amine
CID 87580938
1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87850754
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557
1-(Difluoromethyl)-2-(1,3-thiazol-2-yl)-1lambda4-thia-2,4-diazacyclopenta-3,5-diene
CID 88615514
Sulfurous acid--1,3-thiazol-2(3H)-imine (1/1)
CID 88720588

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide (CID 154088017) is 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide is O=S(=O)(Nc1nccs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is DQIAQSIPHLELGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O2S2/c5-4(6,7)13(10,11)9-3-8-1-2-12-3/h1-2H,(H,8,9).
What are the key properties of 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 232.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 154088017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).