4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine

C4H5FN2O2S2 — CID 54404262

IUPAC4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine
SMILESNc1nc(S(=O)(=O)CF)cs1
InChIInChI=1S/C4H5FN2O2S2/c5-2-11(8,9)3-1-10-4(6)7-3/h1H,2H2,(H2,6,7)
InChIKeyVPNSIIROQNIPIZ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.43
Rot. Bonds2

About 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine

4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine (PubChem CID 54404262) has the molecular formula C4H5FN2O2S2 and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine
PubChem CID54404262
Molecular FormulaC4H5FN2O2S2
Molecular Weight196.23 g/mol
Exact Mass195.98
IUPAC Name4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine
SMILESNc1nc(S(=O)(=O)CF)cs1
InChIInChI=1S/C4H5FN2O2S2/c5-2-11(8,9)3-1-10-4(6)7-3/h1H,2H2,(H2,6,7)
InChIKeyVPNSIIROQNIPIZ-UHFFFAOYSA-N
XLogP0.43
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 12255767
1,1,1-trifluoro-N-[4-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 12255768
4-(Trifluoromethylsulfonyl)-1,3-thiazol-2-amine
CID 162536923
2-Aminothiazole-4-sulfonamide
CID 45080581
4-(Methylthio)-1,3-thiazol-2-amine
CID 55285798
2-Amino-1,3-thiazole-4-sulfonic acid
CID 87415951
4-Methylsulfonyl-1,3-thiazol-2-amine
CID 87416720
4-Ethylsulfonyl-1,3-thiazol-2-amine
CID 87416831
N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide
CID 90912534
4-Propan-2-ylsulfonyl-1,3-thiazol-2-amine
CID 91277199
2-Methylsulfonyl-1,3-thiazol-4-amine
CID 117189190
2-Amino-1,3-thiazole-4-sulfinamide
CID 141165544

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine (CID 54404262) is 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine is Nc1nc(S(=O)(=O)CF)cs1.
What is the InChIKey of 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine?
The InChIKey is VPNSIIROQNIPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O2S2/c5-2-11(8,9)3-1-10-4(6)7-3/h1H,2H2,(H2,6,7).
What are the key properties of 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine?
4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine has a molecular weight of 196.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylsulfonyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 54404262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).