1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

C11H10F3N5O2S — CID 75521759

IUPAC1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESCn1ccnc(NC(=O)NCc2nc(C(F)(F)F)cs2)c1=O
InChIInChI=1S/C11H10F3N5O2S/c1-19-3-2-15-8(9(19)20)18-10(21)16-4-7-17-6(5-22-7)11(12,13)14/h2-3,5H,4H2,1H3,(H2,15,16,18,21)
InChIKeyLXNBYPULEOFJJC-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.58
Rot. Bonds3

About 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (PubChem CID 75521759) has the molecular formula C11H10F3N5O2S and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
PubChem CID75521759
Molecular FormulaC11H10F3N5O2S
Molecular Weight333.30 g/mol
Exact Mass333.05
IUPAC Name1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESCn1ccnc(NC(=O)NCc2nc(C(F)(F)F)cs2)c1=O
InChIInChI=1S/C11H10F3N5O2S/c1-19-3-2-15-8(9(19)20)18-10(21)16-4-7-17-6(5-22-7)11(12,13)14/h2-3,5H,4H2,1H3,(H2,15,16,18,21)
InChIKeyLXNBYPULEOFJJC-UHFFFAOYSA-N
XLogP1.58
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (CID 75521759) is 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is Cn1ccnc(NC(=O)NCc2nc(C(F)(F)F)cs2)c1=O.
What is the InChIKey of 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is LXNBYPULEOFJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2S/c1-19-3-2-15-8(9(19)20)18-10(21)16-4-7-17-6(5-22-7)11(12,13)14/h2-3,5H,4H2,1H3,(H2,15,16,18,21).
What are the key properties of 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 333.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 75521759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).