1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one

C11H11F3N4OS — CID 75467937

IUPAC1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one
SMILESCn1ccnc(NCCc2nc(C(F)(F)F)cs2)c1=O
InChIInChI=1S/C11H11F3N4OS/c1-18-5-4-16-9(10(18)19)15-3-2-8-17-7(6-20-8)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyNZPJXPPAHHGEHE-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.91
Rot. Bonds4

About 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one

1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one (PubChem CID 75467937) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one
PubChem CID75467937
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one
SMILESCn1ccnc(NCCc2nc(C(F)(F)F)cs2)c1=O
InChIInChI=1S/C11H11F3N4OS/c1-18-5-4-16-9(10(18)19)15-3-2-8-17-7(6-20-8)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyNZPJXPPAHHGEHE-UHFFFAOYSA-N
XLogP1.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide
CID 71990543
2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 71993368
N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71986783
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64480275
N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 71911140
2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386181
2-[1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide
CID 75521388
N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide
CID 75521390
1-(4-Methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 75521759
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957982
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958304
(2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237742

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one (CID 75467937) is 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one is Cn1ccnc(NCCc2nc(C(F)(F)F)cs2)c1=O.
What is the InChIKey of 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one?
The InChIKey is NZPJXPPAHHGEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-18-5-4-16-9(10(18)19)15-3-2-8-17-7(6-20-8)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one?
1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one has a molecular weight of 304.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one is sourced from PubChem (CID 75467937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).