2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid

C13H15N3O3S — CID 43477707

IUPAC2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CN1CCN(c2nccs2)CC1
InChIInChI=1S/C13H15N3O3S/c17-12(18)10-1-7-19-11(10)9-15-3-5-16(6-4-15)13-14-2-8-20-13/h1-2,7-8H,3-6,9H2,(H,17,18)
InChIKeyRRDFOCDAJIBRPS-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.76
Rot. Bonds4

About 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid

2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid (PubChem CID 43477707) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid
PubChem CID43477707
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CN1CCN(c2nccs2)CC1
InChIInChI=1S/C13H15N3O3S/c17-12(18)10-1-7-19-11(10)9-15-3-5-16(6-4-15)13-14-2-8-20-13/h1-2,7-8H,3-6,9H2,(H,17,18)
InChIKeyRRDFOCDAJIBRPS-UHFFFAOYSA-N
XLogP1.76
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
2-[(4-propan-2-ylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 43585427
3-fluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 62649639
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 43477735
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 106836382
2-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 61397796
7-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245920
3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propanoic acid
CID 80996624
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
N-ethyl-N-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 29440898
3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid
CID 62270280

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid (CID 43477707) is 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid?
The InChIKey is RRDFOCDAJIBRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-12(18)10-1-7-19-11(10)9-15-3-5-16(6-4-15)13-14-2-8-20-13/h1-2,7-8H,3-6,9H2,(H,17,18).
What are the key properties of 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid?
2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).