4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide

C17H18N4O2S2 — CID 30868840

IUPAC4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C17H18N4O2S2/c22-17(19-15-4-2-10-24-15)21-7-5-20(6-8-21)11-16-18-13(12-25-16)14-3-1-9-23-14/h1-4,9-10,12H,5-8,11H2,(H,19,22)
InChIKeyYUDWFGCCWYNBJZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.81
Rot. Bonds4

About 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide

4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 30868840) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID30868840
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C17H18N4O2S2/c22-17(19-15-4-2-10-24-15)21-7-5-20(6-8-21)11-16-18-13(12-25-16)14-3-1-9-23-14/h1-4,9-10,12H,5-8,11H2,(H,19,22)
InChIKeyYUDWFGCCWYNBJZ-UHFFFAOYSA-N
XLogP3.81
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide (CID 30868840) is 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1.
What is the InChIKey of 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is YUDWFGCCWYNBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c22-17(19-15-4-2-10-24-15)21-7-5-20(6-8-21)11-16-18-13(12-25-16)14-3-1-9-23-14/h1-4,9-10,12H,5-8,11H2,(H,19,22).
What are the key properties of 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 30868840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).