tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate

C22H30N4O3S — CID 30086829

IUPACtert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H30N4O3S/c1-22(2,3)29-21(28)23-10-9-19(27)26-13-11-25(12-14-26)15-18-16-30-20(24-18)17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3,(H,23,28)
InChIKeyMAUXDUWCFKLDDU-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.37
Rot. Bonds6

About tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate

tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate (PubChem CID 30086829) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate
PubChem CID30086829
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Nametert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H30N4O3S/c1-22(2,3)29-21(28)23-10-9-19(27)26-13-11-25(12-14-26)15-18-16-30-20(24-18)17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3,(H,23,28)
InChIKeyMAUXDUWCFKLDDU-UHFFFAOYSA-N
XLogP3.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate with MolForge

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Related Compounds

3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
3-amino-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119839413
tert-butyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate
CID 70975537
N-[3-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 37115839
2-(2-methylphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30463139
4-amino-3-methoxy-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 120595004
2-(2-methoxyphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30086333
1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 30086719
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate (CID 30086829) is tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate?
The InChIKey is MAUXDUWCFKLDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-22(2,3)29-21(28)23-10-9-19(27)26-13-11-25(12-14-26)15-18-16-30-20(24-18)17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3,(H,23,28).
What are the key properties of tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate?
tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate has a molecular weight of 430.57 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate is sourced from PubChem (CID 30086829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).