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

C9H14ClN3S — CID 83155623

IUPAC4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole
SMILESCC1CN(c2nc(Cl)cs2)CCN1C
InChIInChI=1S/C9H14ClN3S/c1-7-5-13(4-3-12(7)2)9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3
InChIKeyLOJXYMHIYOCTLP-UHFFFAOYSA-N
MW231.75 g/mol
LogP1.94
Rot. Bonds1

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

4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole (PubChem CID 83155623) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole
PubChem CID83155623
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole
SMILESCC1CN(c2nc(Cl)cs2)CCN1C
InChIInChI=1S/C9H14ClN3S/c1-7-5-13(4-3-12(7)2)9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3
InChIKeyLOJXYMHIYOCTLP-UHFFFAOYSA-N
XLogP1.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole (CID 83155623) is 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole is CC1CN(c2nc(Cl)cs2)CCN1C.
What is the InChIKey of 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is LOJXYMHIYOCTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-7-5-13(4-3-12(7)2)9-11-8(10)6-14-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole?
4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 231.75 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 83155623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).