tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate

C20H32N4O4S — CID 11430190

IUPACtert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)C1
InChIInChI=1S/C20H32N4O4S/c1-7-23(8-2)16(25)14-10-9-11-24(12-14)17(26)15-13(3)21-18(29-15)22-19(27)28-20(4,5)6/h14H,7-12H2,1-6H3,(H,21,22,27)
InChIKeyGSGNSBMFHMWTAA-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.52
Rot. Bonds5

About tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate (PubChem CID 11430190) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate
PubChem CID11430190
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Nametert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)C1
InChIInChI=1S/C20H32N4O4S/c1-7-23(8-2)16(25)14-10-9-11-24(12-14)17(26)15-13(3)21-18(29-15)22-19(27)28-20(4,5)6/h14H,7-12H2,1-6H3,(H,21,22,27)
InChIKeyGSGNSBMFHMWTAA-UHFFFAOYSA-N
XLogP3.52
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate (CID 11430190) is tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate is CCN(CC)C(=O)C1CCCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)C1.
What is the InChIKey of tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is GSGNSBMFHMWTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-7-23(8-2)16(25)14-10-9-11-24(12-14)17(26)15-13(3)21-18(29-15)22-19(27)28-20(4,5)6/h14H,7-12H2,1-6H3,(H,21,22,27).
What are the key properties of tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 424.57 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[3-(diethylcarbamoyl)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11430190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).