5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile

C14H16N6S — CID 133484099

IUPAC5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCc2csc(N3CCCC3)n2)cn1
InChIInChI=1S/C14H16N6S/c15-7-12-8-18-13(9-17-12)16-4-3-11-10-21-14(19-11)20-5-1-2-6-20/h8-10H,1-6H2,(H,16,18)
InChIKeyKIFSNWJDRGAPPC-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.06
Rot. Bonds5

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

5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 133484099) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID133484099
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCc2csc(N3CCCC3)n2)cn1
InChIInChI=1S/C14H16N6S/c15-7-12-8-18-13(9-17-12)16-4-3-11-10-21-14(19-11)20-5-1-2-6-20/h8-10H,1-6H2,(H,16,18)
InChIKeyKIFSNWJDRGAPPC-UHFFFAOYSA-N
XLogP2.06
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile (CID 133484099) is 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCCc2csc(N3CCCC3)n2)cn1.
What is the InChIKey of 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is KIFSNWJDRGAPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c15-7-12-8-18-13(9-17-12)16-4-3-11-10-21-14(19-11)20-5-1-2-6-20/h8-10H,1-6H2,(H,16,18).
What are the key properties of 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile?
5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).