2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile

C11H16N4S — CID 82425036

IUPAC2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCN1CCN(CCc2ncc(C#N)s2)CC1
InChIInChI=1S/C11H16N4S/c1-14-4-6-15(7-5-14)3-2-11-13-9-10(8-12)16-11/h9H,2-7H2,1H3
InChIKeyHQKAUIZWZIQUFZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.80
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile

2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82425036) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
PubChem CID82425036
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCN1CCN(CCc2ncc(C#N)s2)CC1
InChIInChI=1S/C11H16N4S/c1-14-4-6-15(7-5-14)3-2-11-13-9-10(8-12)16-11/h9H,2-7H2,1H3
InChIKeyHQKAUIZWZIQUFZ-UHFFFAOYSA-N
XLogP0.80
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(azepan-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82425098
[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol
CID 82425050
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82425052
1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115092014
(E)-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82425056
N-[[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82425037
2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile
CID 82424871
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437863
2-[2-[2-(azepan-1-yl)ethyl]-1,3-thiazol-5-yl]acetonitrile
CID 82425110
5-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82425053
2-(bromomethyl)-1,3-thiazole-5-carbonitrile
CID 58019012
5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 82058210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile (CID 82425036) is 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile is CN1CCN(CCc2ncc(C#N)s2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is HQKAUIZWZIQUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-14-4-6-15(7-5-14)3-2-11-13-9-10(8-12)16-11/h9H,2-7H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 236.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82425036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).