N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide

C17H24N4O2S — CID 30868826

IUPACN-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)19-16(22)21-8-6-20(7-9-21)11-15-18-13(12-24-15)14-5-4-10-23-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyMPXANOWRIFGOSX-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.03
Rot. Bonds3

About N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide

N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 30868826) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
PubChem CID30868826
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)19-16(22)21-8-6-20(7-9-21)11-15-18-13(12-24-15)14-5-4-10-23-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyMPXANOWRIFGOSX-UHFFFAOYSA-N
XLogP3.03
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (CID 30868826) is N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1.
What is the InChIKey of N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is MPXANOWRIFGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-17(2,3)19-16(22)21-8-6-20(7-9-21)11-15-18-13(12-24-15)14-5-4-10-23-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,22).
What are the key properties of N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30868826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).