2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole

C18H20N4OS — CID 120910331

IUPAC2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1ccc(-c2ncc(CN3CCNCC3c3ccncc3)s2)o1
InChIInChI=1S/C18H20N4OS/c1-13-2-3-17(23-13)18-21-10-15(24-18)12-22-9-8-20-11-16(22)14-4-6-19-7-5-14/h2-7,10,16,20H,8-9,11-12H2,1H3
InChIKeyDBPAIKVYSRLIPO-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.25
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole

2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 120910331) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID120910331
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1ccc(-c2ncc(CN3CCNCC3c3ccncc3)s2)o1
InChIInChI=1S/C18H20N4OS/c1-13-2-3-17(23-13)18-21-10-15(24-18)12-22-9-8-20-11-16(22)14-4-6-19-7-5-14/h2-7,10,16,20H,8-9,11-12H2,1H3
InChIKeyDBPAIKVYSRLIPO-UHFFFAOYSA-N
XLogP3.25
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120910469
2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910478
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
2-tert-butyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120768352
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 120910331) is 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole is Cc1ccc(-c2ncc(CN3CCNCC3c3ccncc3)s2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is DBPAIKVYSRLIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-2-3-17(23-13)18-21-10-15(24-18)12-22-9-8-20-11-16(22)14-4-6-19-7-5-14/h2-7,10,16,20H,8-9,11-12H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 340.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 120910331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).