tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate

C15H24N4O3S — CID 126831141

IUPACtert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC1C(=O)NCc1nccs1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)19-7-6-18(4)11(10-19)13(20)17-9-12-16-5-8-23-12/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,20)
InChIKeyWZRHPKPCEUXIJH-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.31
Rot. Bonds3

About tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate

tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 126831141) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate
PubChem CID126831141
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Nametert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC1C(=O)NCc1nccs1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)19-7-6-18(4)11(10-19)13(20)17-9-12-16-5-8-23-12/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,20)
InChIKeyWZRHPKPCEUXIJH-UHFFFAOYSA-N
XLogP1.31
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl 5-(1,3-thiazol-2-ylmethylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 126818908
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
CID 71631934
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 47017638
tert-butyl 2-methyl-3-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxylate
CID 104954266
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 3-[2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 55670608
tert-butyl 3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 66862825
tert-butyl 3-[[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 71630223
tert-butyl 3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 71633620
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate (CID 126831141) is tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate is CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)NCc1nccs1.
What is the InChIKey of tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is WZRHPKPCEUXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)19-7-6-18(4)11(10-19)13(20)17-9-12-16-5-8-23-12/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-3-(1,3-thiazol-2-ylmethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 126831141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).