tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate

C13H19N3O3S — CID 59625991

IUPACtert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-13(2,3)19-12(18)16-7-5-15(6-8-16)11(17)10-14-4-9-20-10/h4,9H,5-8H2,1-3H3
InChIKeyMOINMGZZCAXXKN-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.84
Rot. Bonds1

About tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 59625991) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate
PubChem CID59625991
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nametert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-13(2,3)19-12(18)16-7-5-15(6-8-16)11(17)10-14-4-9-20-10/h4,9H,5-8H2,1-3H3
InChIKeyMOINMGZZCAXXKN-UHFFFAOYSA-N
XLogP1.84
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate (CID 59625991) is tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2nccs2)CC1.
What is the InChIKey of tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is MOINMGZZCAXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-13(2,3)19-12(18)16-7-5-15(6-8-16)11(17)10-14-4-9-20-10/h4,9H,5-8H2,1-3H3.
What are the key properties of tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-thiazole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 59625991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).