3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile

C14H16N6S — CID 136517014

IUPAC3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCC1CN(c2nccnc2C#N)CCN1Cc1nccs1
InChIInChI=1S/C14H16N6S/c1-11-9-20(14-12(8-15)16-2-3-18-14)6-5-19(11)10-13-17-4-7-21-13/h2-4,7,11H,5-6,9-10H2,1H3
InChIKeyCBZQWAISWYCPNV-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.52
Rot. Bonds3

About 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 136517014) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID136517014
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCC1CN(c2nccnc2C#N)CCN1Cc1nccs1
InChIInChI=1S/C14H16N6S/c1-11-9-20(14-12(8-15)16-2-3-18-14)6-5-19(11)10-13-17-4-7-21-13/h2-4,7,11H,5-6,9-10H2,1H3
InChIKeyCBZQWAISWYCPNV-UHFFFAOYSA-N
XLogP1.52
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 136517014) is 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile is CC1CN(c2nccnc2C#N)CCN1Cc1nccs1.
What is the InChIKey of 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is CBZQWAISWYCPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-11-9-20(14-12(8-15)16-2-3-18-14)6-5-19(11)10-13-17-4-7-21-13/h2-4,7,11H,5-6,9-10H2,1H3.
What are the key properties of 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 136517014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).