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

C4H3F3N2O2S2 — CID 162536923

IUPAC4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine
SMILESNc1nc(S(=O)(=O)C(F)(F)F)cs1
InChIInChI=1S/C4H3F3N2O2S2/c5-4(6,7)13(10,11)2-1-12-3(8)9-2/h1H,(H2,8,9)
InChIKeyBXXKYQBPZXNXKJ-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.02
Rot. Bonds1

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

4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine (PubChem CID 162536923) has the molecular formula C4H3F3N2O2S2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine
PubChem CID162536923
Molecular FormulaC4H3F3N2O2S2
Molecular Weight232.21 g/mol
Exact Mass231.96
IUPAC Name4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine
SMILESNc1nc(S(=O)(=O)C(F)(F)F)cs1
InChIInChI=1S/C4H3F3N2O2S2/c5-4(6,7)13(10,11)2-1-12-3(8)9-2/h1H,(H2,8,9)
InChIKeyBXXKYQBPZXNXKJ-UHFFFAOYSA-N
XLogP1.02
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine (CID 162536923) is 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine is Nc1nc(S(=O)(=O)C(F)(F)F)cs1.
What is the InChIKey of 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine?
The InChIKey is BXXKYQBPZXNXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O2S2/c5-4(6,7)13(10,11)2-1-12-3(8)9-2/h1H,(H2,8,9).
What are the key properties of 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine?
4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine has a molecular weight of 232.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 162536923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).