methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate

C15H21N3O5S — CID 59679269

IUPACmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C15H21N3O5S/c1-15(2,3)23-14(21)18-7-5-17(6-8-18)12(19)11-16-9-10(24-11)13(20)22-4/h9H,5-8H2,1-4H3
InChIKeySBJZQLQZVFAXSU-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate

methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate (PubChem CID 59679269) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate
PubChem CID59679269
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C15H21N3O5S/c1-15(2,3)23-14(21)18-7-5-17(6-8-18)12(19)11-16-9-10(24-11)13(20)22-4/h9H,5-8H2,1-4H3
InChIKeySBJZQLQZVFAXSU-UHFFFAOYSA-N
XLogP1.62
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate (CID 59679269) is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate?
The InChIKey is SBJZQLQZVFAXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-15(2,3)23-14(21)18-7-5-17(6-8-18)12(19)11-16-9-10(24-11)13(20)22-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate?
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59679269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).