5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile

C12H10F3N5S — CID 133484953

IUPAC5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile
SMILESCCC(Nc1cnc(C#N)cn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H10F3N5S/c1-2-8(11-20-9(6-21-11)12(13,14)15)19-10-5-17-7(3-16)4-18-10/h4-6,8H,2H2,1H3,(H,18,19)
InChIKeyQDYYSZMEYWDGDK-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.39
Rot. Bonds4

About 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile

5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile (PubChem CID 133484953) has the molecular formula C12H10F3N5S and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile
PubChem CID133484953
Molecular FormulaC12H10F3N5S
Molecular Weight313.31 g/mol
Exact Mass313.06
IUPAC Name5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile
SMILESCCC(Nc1cnc(C#N)cn1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H10F3N5S/c1-2-8(11-20-9(6-21-11)12(13,14)15)19-10-5-17-7(3-16)4-18-10/h4-6,8H,2H2,1H3,(H,18,19)
InChIKeyQDYYSZMEYWDGDK-UHFFFAOYSA-N
XLogP3.39
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile (CID 133484953) is 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile is CCC(Nc1cnc(C#N)cn1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile?
The InChIKey is QDYYSZMEYWDGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5S/c1-2-8(11-20-9(6-21-11)12(13,14)15)19-10-5-17-7(3-16)4-18-10/h4-6,8H,2H2,1H3,(H,18,19).
What are the key properties of 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile?
5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile has a molecular weight of 313.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).