methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

C12H20N4O2S — CID 46507857

IUPACmethyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCN(C(C)C)CC2)nc1N
InChIInChI=1S/C12H20N4O2S/c1-8(2)15-4-6-16(7-5-15)12-14-10(13)9(19-12)11(17)18-3/h8H,4-7,13H2,1-3H3
InChIKeyPJPGLISWUYNIQG-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.04
Rot. Bonds3

About methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 46507857) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID46507857
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Namemethyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCN(C(C)C)CC2)nc1N
InChIInChI=1S/C12H20N4O2S/c1-8(2)15-4-6-16(7-5-15)12-14-10(13)9(19-12)11(17)18-3/h8H,4-7,13H2,1-3H3
InChIKeyPJPGLISWUYNIQG-UHFFFAOYSA-N
XLogP1.04
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate (CID 46507857) is methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCN(C(C)C)CC2)nc1N.
What is the InChIKey of methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is PJPGLISWUYNIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8(2)15-4-6-16(7-5-15)12-14-10(13)9(19-12)11(17)18-3/h8H,4-7,13H2,1-3H3.
What are the key properties of methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 284.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 46507857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).