2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile

C10H14N4S — CID 42931497

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H14N4S/c1-9(8-11)13-3-5-14(6-4-13)10-12-2-7-15-10/h2,7,9H,3-6H2,1H3
InChIKeyAQPBJTCFLVLPPQ-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.18
Rot. Bonds2

About 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile (PubChem CID 42931497) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile
PubChem CID42931497
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H14N4S/c1-9(8-11)13-3-5-14(6-4-13)10-12-2-7-15-10/h2,7,9H,3-6H2,1H3
InChIKeyAQPBJTCFLVLPPQ-UHFFFAOYSA-N
XLogP1.18
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile (CID 42931497) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile?
The InChIKey is AQPBJTCFLVLPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-9(8-11)13-3-5-14(6-4-13)10-12-2-7-15-10/h2,7,9H,3-6H2,1H3.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile has a molecular weight of 222.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 42931497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).