(2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate

C12H18N4O3S — CID 68575186

IUPAC(2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate
SMILESNC(=O)COC(=O)NCC1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18N4O3S/c13-10(17)8-19-12(18)15-7-9-1-4-16(5-2-9)11-14-3-6-20-11/h3,6,9H,1-2,4-5,7-8H2,(H2,13,17)(H,15,18)
InChIKeyPBILWLNLDFIQPY-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.57
Rot. Bonds5

About (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate

(2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 68575186) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate
PubChem CID68575186
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name(2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate
SMILESNC(=O)COC(=O)NCC1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18N4O3S/c13-10(17)8-19-12(18)15-7-9-1-4-16(5-2-9)11-14-3-6-20-11/h3,6,9H,1-2,4-5,7-8H2,(H2,13,17)(H,15,18)
InChIKeyPBILWLNLDFIQPY-UHFFFAOYSA-N
XLogP0.57
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate (CID 68575186) is (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate is NC(=O)COC(=O)NCC1CCN(c2nccs2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is PBILWLNLDFIQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c13-10(17)8-19-12(18)15-7-9-1-4-16(5-2-9)11-14-3-6-20-11/h3,6,9H,1-2,4-5,7-8H2,(H2,13,17)(H,15,18).
What are the key properties of (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate?
(2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 298.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 68575186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).