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

C8H9F3N2OS — CID 146566059

IUPACN,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)c1cnc(C(F)(F)CF)s1
InChIInChI=1S/C8H9F3N2OS/c1-13(2)6(14)5-3-12-7(15-5)8(10,11)4-9/h3H,4H2,1-2H3
InChIKeyCNINVBSMIPECGU-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.91
Rot. Bonds3

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

N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 146566059) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID146566059
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC NameN,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)c1cnc(C(F)(F)CF)s1
InChIInChI=1S/C8H9F3N2OS/c1-13(2)6(14)5-3-12-7(15-5)8(10,11)4-9/h3H,4H2,1-2H3
InChIKeyCNINVBSMIPECGU-UHFFFAOYSA-N
XLogP1.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 146566059) is N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CN(C)C(=O)c1cnc(C(F)(F)CF)s1.
What is the InChIKey of N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CNINVBSMIPECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-13(2)6(14)5-3-12-7(15-5)8(10,11)4-9/h3H,4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 238.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146566059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).