2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile

C13H20N4S — CID 65169684

IUPAC2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C13H20N4S/c1-4-12(9-14)16-5-7-17(8-6-16)13-15-10(2)11(3)18-13/h12H,4-8H2,1-3H3
InChIKeyNTBMAKQETUKJMG-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.18
Rot. Bonds3

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

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile (PubChem CID 65169684) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile
PubChem CID65169684
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C13H20N4S/c1-4-12(9-14)16-5-7-17(8-6-16)13-15-10(2)11(3)18-13/h12H,4-8H2,1-3H3
InChIKeyNTBMAKQETUKJMG-UHFFFAOYSA-N
XLogP2.18
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile (CID 65169684) is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(c2nc(C)c(C)s2)CC1.
What is the InChIKey of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile?
The InChIKey is NTBMAKQETUKJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-12(9-14)16-5-7-17(8-6-16)13-15-10(2)11(3)18-13/h12H,4-8H2,1-3H3.
What are the key properties of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile?
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile has a molecular weight of 264.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 65169684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).