N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C7H7F3N2OS — CID 5224505

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCc1nc(NC(=O)C(F)(F)F)sc1C
InChIInChI=1S/C7H7F3N2OS/c1-3-4(2)14-6(11-3)12-5(13)7(8,9)10/h1-2H3,(H,11,12,13)
InChIKeyGTRNVMPYCOJCDN-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.26
Rot. Bonds1

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 5224505) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID5224505
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCc1nc(NC(=O)C(F)(F)F)sc1C
InChIInChI=1S/C7H7F3N2OS/c1-3-4(2)14-6(11-3)12-5(13)7(8,9)10/h1-2H3,(H,11,12,13)
InChIKeyGTRNVMPYCOJCDN-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 5224505) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is Cc1nc(NC(=O)C(F)(F)F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is GTRNVMPYCOJCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-3-4(2)14-6(11-3)12-5(13)7(8,9)10/h1-2H3,(H,11,12,13).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 224.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 5224505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).