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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Related Compounds

1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
4-Thiazolemethanamine, alpha,2,5-trimethyl-, hydrochloride (1:2)
CID 50944361
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079696
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 51983426
2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274632
N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
CID 99629512
1-(4-Methyl-1,3-thiazol-5-yl)ethanamine
CID 19829274

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).