methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate

C11H14ClN3O3S — CID 47256260

IUPACmethyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCN(C(C)=O)CC2)nc1Cl
InChIInChI=1S/C11H14ClN3O3S/c1-7(16)14-3-5-15(6-4-14)11-13-9(12)8(19-11)10(17)18-2/h3-6H2,1-2H3
InChIKeyFYQYJZVBYDAVKE-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.25
Rot. Bonds2

About methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate

methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate (PubChem CID 47256260) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate
PubChem CID47256260
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Namemethyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCN(C(C)=O)CC2)nc1Cl
InChIInChI=1S/C11H14ClN3O3S/c1-7(16)14-3-5-15(6-4-14)11-13-9(12)8(19-11)10(17)18-2/h3-6H2,1-2H3
InChIKeyFYQYJZVBYDAVKE-UHFFFAOYSA-N
XLogP1.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate (CID 47256260) is methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCN(C(C)=O)CC2)nc1Cl.
What is the InChIKey of methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate?
The InChIKey is FYQYJZVBYDAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c1-7(16)14-3-5-15(6-4-14)11-13-9(12)8(19-11)10(17)18-2/h3-6H2,1-2H3.
What are the key properties of methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate?
methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate has a molecular weight of 303.77 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47256260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).