N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

C14H14F3N3OS — CID 2110139

IUPACN,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccccc2C(F)(F)F)sc1C(=O)N(C)C
InChIInChI=1S/C14H14F3N3OS/c1-8-11(12(21)20(2)3)22-13(18-8)19-10-7-5-4-6-9(10)14(15,16)17/h4-7H,1-3H3,(H,18,19)
InChIKeySRWAWYJYVXLSLJ-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.92
Rot. Bonds3

About N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 2110139) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID2110139
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC NameN,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccccc2C(F)(F)F)sc1C(=O)N(C)C
InChIInChI=1S/C14H14F3N3OS/c1-8-11(12(21)20(2)3)22-13(18-8)19-10-7-5-4-6-9(10)14(15,16)17/h4-7H,1-3H3,(H,18,19)
InChIKeySRWAWYJYVXLSLJ-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 2110139) is N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccccc2C(F)(F)F)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is SRWAWYJYVXLSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-8-11(12(21)20(2)3)22-13(18-8)19-10-7-5-4-6-9(10)14(15,16)17/h4-7H,1-3H3,(H,18,19).
What are the key properties of N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2110139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).