4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride

C6H4ClF3N2O3S2 — CID 63945634

IUPAC4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)C(F)(F)F)sc1S(=O)(=O)Cl
InChIInChI=1S/C6H4ClF3N2O3S2/c1-2-3(17(7,14)15)16-5(11-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13)
InChIKeyZUBPONMGQMCVFK-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.88
Rot. Bonds2

About 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride

4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63945634) has the molecular formula C6H4ClF3N2O3S2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride
PubChem CID63945634
Molecular FormulaC6H4ClF3N2O3S2
Molecular Weight308.69 g/mol
Exact Mass307.93
IUPAC Name4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)C(F)(F)F)sc1S(=O)(=O)Cl
InChIInChI=1S/C6H4ClF3N2O3S2/c1-2-3(17(7,14)15)16-5(11-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13)
InChIKeyZUBPONMGQMCVFK-UHFFFAOYSA-N
XLogP1.88
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride (CID 63945634) is 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NC(=O)C(F)(F)F)sc1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is ZUBPONMGQMCVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O3S2/c1-2-3(17(7,14)15)16-5(11-2)12-4(13)6(8,9)10/h1H3,(H,11,12,13).
What are the key properties of 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride?
4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 308.69 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63945634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).