2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C12H17F3N4O2S — CID 75382119

IUPAC2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CCNC(=O)NCC(=O)NCC(F)(F)F)sc1C
InChIInChI=1S/C12H17F3N4O2S/c1-7-8(2)22-10(19-7)3-4-16-11(21)17-5-9(20)18-6-12(13,14)15/h3-6H2,1-2H3,(H,18,20)(H2,16,17,21)
InChIKeyWFXPZASTVFQQFC-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.28
Rot. Bonds6

About 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75382119) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75382119
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC Name2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CCNC(=O)NCC(=O)NCC(F)(F)F)sc1C
InChIInChI=1S/C12H17F3N4O2S/c1-7-8(2)22-10(19-7)3-4-16-11(21)17-5-9(20)18-6-12(13,14)15/h3-6H2,1-2H3,(H,18,20)(H2,16,17,21)
InChIKeyWFXPZASTVFQQFC-UHFFFAOYSA-N
XLogP1.28
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 75382119) is 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(CCNC(=O)NCC(=O)NCC(F)(F)F)sc1C.
What is the InChIKey of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WFXPZASTVFQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c1-7-8(2)22-10(19-7)3-4-16-11(21)17-5-9(20)18-6-12(13,14)15/h3-6H2,1-2H3,(H,18,20)(H2,16,17,21).
What are the key properties of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 338.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75382119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).