tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

C13H20N4O3S — CID 58539756

IUPACtert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C13H20N4O3S/c1-13(2,3)20-12(19)17-6-4-16(5-7-17)11-15-8-9(21-11)10(14)18/h8H,4-7H2,1-3H3,(H2,14,18)
InChIKeyRGVOFHIDUXTMAW-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.30
Rot. Bonds2

About tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 58539756) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID58539756
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Nametert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C13H20N4O3S/c1-13(2,3)20-12(19)17-6-4-16(5-7-17)11-15-8-9(21-11)10(14)18/h8H,4-7H2,1-3H3,(H2,14,18)
InChIKeyRGVOFHIDUXTMAW-UHFFFAOYSA-N
XLogP1.30
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 58539756) is tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc(C(N)=O)s2)CC1.
What is the InChIKey of tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is RGVOFHIDUXTMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-13(2,3)20-12(19)17-6-4-16(5-7-17)11-15-8-9(21-11)10(14)18/h8H,4-7H2,1-3H3,(H2,14,18).
What are the key properties of tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 312.40 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-carbamoyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 58539756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).