2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide

C14H15F3N2O2S2 — CID 46976860

IUPAC2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2O2S2/c1-9-13(22-10(2)19-9)23(20,21)18-8-7-11-3-5-12(6-4-11)14(15,16)17/h3-6,18H,7-8H2,1-2H3
InChIKeyCDMQPDSQTCURHA-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.30
Rot. Bonds5

About 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide

2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 46976860) has the molecular formula C14H15F3N2O2S2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID46976860
Molecular FormulaC14H15F3N2O2S2
Molecular Weight364.41 g/mol
Exact Mass364.05
IUPAC Name2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2O2S2/c1-9-13(22-10(2)19-9)23(20,21)18-8-7-11-3-5-12(6-4-11)14(15,16)17/h3-6,18H,7-8H2,1-2H3
InChIKeyCDMQPDSQTCURHA-UHFFFAOYSA-N
XLogP3.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide (CID 46976860) is 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is CDMQPDSQTCURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2S2/c1-9-13(22-10(2)19-9)23(20,21)18-8-7-11-3-5-12(6-4-11)14(15,16)17/h3-6,18H,7-8H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 364.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 46976860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).