2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone

C12H18ClN3OS — CID 126839304

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ncc(Cl)s2)C(C)CN1C
InChIInChI=1S/C12H18ClN3OS/c1-8-7-16(9(2)6-15(8)3)12(17)4-11-14-5-10(13)18-11/h5,8-9H,4,6-7H2,1-3H3
InChIKeyAFFGZJUKSCWQMF-UHFFFAOYSA-N
MW287.82 g/mol
LogP1.89
Rot. Bonds2

About 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone

2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone (PubChem CID 126839304) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone
PubChem CID126839304
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ncc(Cl)s2)C(C)CN1C
InChIInChI=1S/C12H18ClN3OS/c1-8-7-16(9(2)6-15(8)3)12(17)4-11-14-5-10(13)18-11/h5,8-9H,4,6-7H2,1-3H3
InChIKeyAFFGZJUKSCWQMF-UHFFFAOYSA-N
XLogP1.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone (CID 126839304) is 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone is CC1CN(C(=O)Cc2ncc(Cl)s2)C(C)CN1C.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone?
The InChIKey is AFFGZJUKSCWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-8-7-16(9(2)6-15(8)3)12(17)4-11-14-5-10(13)18-11/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone?
2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone has a molecular weight of 287.82 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 126839304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).