4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

C13H17N3OS — CID 63333142

IUPAC4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(CN3CCNCC3)n2)o1
InChIInChI=1S/C13H17N3OS/c1-10-2-3-12(17-10)11-9-18-13(15-11)8-16-6-4-14-5-7-16/h2-3,9,14H,4-8H2,1H3
InChIKeyVGJZBXQCEYTEFF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.12
Rot. Bonds3

About 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 63333142) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID63333142
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(CN3CCNCC3)n2)o1
InChIInChI=1S/C13H17N3OS/c1-10-2-3-12(17-10)11-9-18-13(15-11)8-16-6-4-14-5-7-16/h2-3,9,14H,4-8H2,1H3
InChIKeyVGJZBXQCEYTEFF-UHFFFAOYSA-N
XLogP2.12
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (CID 63333142) is 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is Cc1ccc(-c2csc(CN3CCNCC3)n2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is VGJZBXQCEYTEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-2-3-12(17-10)11-9-18-13(15-11)8-16-6-4-14-5-7-16/h2-3,9,14H,4-8H2,1H3.
What are the key properties of 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 263.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 63333142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).