3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile

C15H18N6S — CID 172880808

IUPAC3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1nc(CN2CCN(c3nccnc3C#N)CC2)sc1C
InChIInChI=1S/C15H18N6S/c1-11-12(2)22-14(19-11)10-20-5-7-21(8-6-20)15-13(9-16)17-3-4-18-15/h3-4H,5-8,10H2,1-2H3
InChIKeyDADMGPMAKYFEBO-UHFFFAOYSA-N
MW314.42 g/mol
LogP1.74
Rot. Bonds3

About 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 172880808) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID172880808
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1nc(CN2CCN(c3nccnc3C#N)CC2)sc1C
InChIInChI=1S/C15H18N6S/c1-11-12(2)22-14(19-11)10-20-5-7-21(8-6-20)15-13(9-16)17-3-4-18-15/h3-4H,5-8,10H2,1-2H3
InChIKeyDADMGPMAKYFEBO-UHFFFAOYSA-N
XLogP1.74
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
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2-(azepan-1-ylmethyl)-4-methyl-1,3-thiazole-5-carbonitrile
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1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazole-3-carbonitrile
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2-[4-(3-cyanopyrazin-2-yl)-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 172880808) is 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile is Cc1nc(CN2CCN(c3nccnc3C#N)CC2)sc1C.
What is the InChIKey of 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is DADMGPMAKYFEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-11-12(2)22-14(19-11)10-20-5-7-21(8-6-20)15-13(9-16)17-3-4-18-15/h3-4H,5-8,10H2,1-2H3.
What are the key properties of 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 314.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 172880808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).