3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile

C12H19N3S — CID 61192885

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1sc(C)nc1C
InChIInChI=1S/C12H19N3S/c1-5-11(6-7-13)15-9(3)12-8(2)14-10(4)16-12/h9,11,15H,5-6H2,1-4H3
InChIKeyXGVPNLJPLXHLRY-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.10
Rot. Bonds5

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile (PubChem CID 61192885) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile
PubChem CID61192885
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1sc(C)nc1C
InChIInChI=1S/C12H19N3S/c1-5-11(6-7-13)15-9(3)12-8(2)14-10(4)16-12/h9,11,15H,5-6H2,1-4H3
InChIKeyXGVPNLJPLXHLRY-UHFFFAOYSA-N
XLogP3.10
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile (CID 61192885) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile is CCC(CC#N)NC(C)c1sc(C)nc1C.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile?
The InChIKey is XGVPNLJPLXHLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-5-11(6-7-13)15-9(3)12-8(2)14-10(4)16-12/h9,11,15H,5-6H2,1-4H3.
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile has a molecular weight of 237.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 61192885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).