4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole

C12H15N3OS — CID 62632333

IUPAC4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
SMILESCc1sc(N2CCNCC2)nc1-c1ccco1
InChIInChI=1S/C12H15N3OS/c1-9-11(10-3-2-8-16-10)14-12(17-9)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKeyAARXAHJSPPIQPO-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.12
Rot. Bonds2

About 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole

4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole (PubChem CID 62632333) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
PubChem CID62632333
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
SMILESCc1sc(N2CCNCC2)nc1-c1ccco1
InChIInChI=1S/C12H15N3OS/c1-9-11(10-3-2-8-16-10)14-12(17-9)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKeyAARXAHJSPPIQPO-UHFFFAOYSA-N
XLogP2.12
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
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-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole (CID 62632333) is 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole is Cc1sc(N2CCNCC2)nc1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is AARXAHJSPPIQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-11(10-3-2-8-16-10)14-12(17-9)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole?
4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 249.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 62632333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).