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

C9H13N3S — CID 106045354

IUPAC2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
SMILESCc1nc(CCNC(C)C#N)cs1
InChIInChI=1S/C9H13N3S/c1-7(5-10)11-4-3-9-6-13-8(2)12-9/h6-7,11H,3-4H2,1-2H3
InChIKeyPGGMBYBINLENCL-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.50
Rot. Bonds4

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

2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile (PubChem CID 106045354) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
PubChem CID106045354
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
SMILESCc1nc(CCNC(C)C#N)cs1
InChIInChI=1S/C9H13N3S/c1-7(5-10)11-4-3-9-6-13-8(2)12-9/h6-7,11H,3-4H2,1-2H3
InChIKeyPGGMBYBINLENCL-UHFFFAOYSA-N
XLogP1.50
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
4-methoxy-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentan-2-amine
CID 113260118
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
CID 106036222
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 103880851
1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106039302
1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777253
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106038951
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile (CID 106045354) is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile is Cc1nc(CCNC(C)C#N)cs1.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile?
The InChIKey is PGGMBYBINLENCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7(5-10)11-4-3-9-6-13-8(2)12-9/h6-7,11H,3-4H2,1-2H3.
What are the key properties of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile?
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile has a molecular weight of 195.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile is sourced from PubChem (CID 106045354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).