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

C15H21N2O4S- — CID 7164574

IUPAC4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)[O-]
InChIInChI=1S/C15H22N2O4S/c1-9-11(13(18)19)22-12(16-9)10-5-7-17(8-6-10)14(20)21-15(2,3)4/h10H,5-8H2,1-4H3,(H,18,19)/p-1
InChIKeyXDKKXEMKXSGKOR-UHFFFAOYSA-M
MW325.41 g/mol
LogP1.93
Rot. Bonds2

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

4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate (PubChem CID 7164574) has the molecular formula C15H21N2O4S- and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate
PubChem CID7164574
Molecular FormulaC15H21N2O4S-
Molecular Weight325.41 g/mol
Exact Mass325.12
IUPAC Name4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)[O-]
InChIInChI=1S/C15H22N2O4S/c1-9-11(13(18)19)22-12(16-9)10-5-7-17(8-6-10)14(20)21-15(2,3)4/h10H,5-8H2,1-4H3,(H,18,19)/p-1
InChIKeyXDKKXEMKXSGKOR-UHFFFAOYSA-M
XLogP1.93
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate (CID 7164574) is 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate is Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)[O-].
What is the InChIKey of 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is XDKKXEMKXSGKOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22N2O4S/c1-9-11(13(18)19)22-12(16-9)10-5-7-17(8-6-10)14(20)21-15(2,3)4/h10H,5-8H2,1-4H3,(H,18,19)/p-1.
What are the key properties of 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate?
4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7164574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).