4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile

C10H13ClN4S — CID 106596041

IUPAC4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
SMILESCC1CN(c2nc(Cl)c(C#N)s2)C(C)CN1
InChIInChI=1S/C10H13ClN4S/c1-6-5-15(7(2)4-13-6)10-14-9(11)8(3-12)16-10/h6-7,13H,4-5H2,1-2H3
InChIKeyUNUXDANNJSDAOA-UHFFFAOYSA-N
MW256.76 g/mol
LogP1.85
Rot. Bonds1

About 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile

4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile (PubChem CID 106596041) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
PubChem CID106596041
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
SMILESCC1CN(c2nc(Cl)c(C#N)s2)C(C)CN1
InChIInChI=1S/C10H13ClN4S/c1-6-5-15(7(2)4-13-6)10-14-9(11)8(3-12)16-10/h6-7,13H,4-5H2,1-2H3
InChIKeyUNUXDANNJSDAOA-UHFFFAOYSA-N
XLogP1.85
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-methylazetidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 130621289
4-chloro-2-(2,5-diethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106596040
6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64983613
4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 130174606
6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 64983286
4-chloro-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106595938
1-(4-chlorophenyl)-2,5-dimethylpiperazine
CID 11572115
1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-fluoro-6-methoxybenzonitrile
CID 68691170
3-bromo-4-(2,5-dimethylpiperazin-1-yl)benzonitrile
CID 82808747
5-bromo-2-(2,5-dimethylpiperazin-1-yl)benzonitrile
CID 114894043

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile (CID 106596041) is 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile is CC1CN(c2nc(Cl)c(C#N)s2)C(C)CN1.
What is the InChIKey of 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile?
The InChIKey is UNUXDANNJSDAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-6-5-15(7(2)4-13-6)10-14-9(11)8(3-12)16-10/h6-7,13H,4-5H2,1-2H3.
What are the key properties of 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile has a molecular weight of 256.76 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106596041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).