2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide

C10H13F3N2O3S2 — CID 84593433

IUPAC2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NS(=O)(=O)CCCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O3S2/c1-6-8(19-7(2)14-6)9(16)15-20(17,18)5-3-4-10(11,12)13/h3-5H2,1-2H3,(H,15,16)
InChIKeyJJXLYEHTPUCTMO-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.16
Rot. Bonds5

About 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide (PubChem CID 84593433) has the molecular formula C10H13F3N2O3S2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide
PubChem CID84593433
Molecular FormulaC10H13F3N2O3S2
Molecular Weight330.35 g/mol
Exact Mass330.03
IUPAC Name2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NS(=O)(=O)CCCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O3S2/c1-6-8(19-7(2)14-6)9(16)15-20(17,18)5-3-4-10(11,12)13/h3-5H2,1-2H3,(H,15,16)
InChIKeyJJXLYEHTPUCTMO-UHFFFAOYSA-N
XLogP2.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide (CID 84593433) is 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NS(=O)(=O)CCCC(F)(F)F)s1.
What is the InChIKey of 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JJXLYEHTPUCTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S2/c1-6-8(19-7(2)14-6)9(16)15-20(17,18)5-3-4-10(11,12)13/h3-5H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84593433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).