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

C20H22N4OS — CID 120754903

IUPAC2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CN2CCNCC2c2cccnc2)cs1
InChIInChI=1S/C20H22N4OS/c1-25-19-7-3-2-6-17(19)20-23-16(14-26-20)13-24-10-9-22-12-18(24)15-5-4-8-21-11-15/h2-8,11,14,18,22H,9-10,12-13H2,1H3
InChIKeyGNFDCXVLCNNOGV-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.36
Rot. Bonds5

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

2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 120754903) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID120754903
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CN2CCNCC2c2cccnc2)cs1
InChIInChI=1S/C20H22N4OS/c1-25-19-7-3-2-6-17(19)20-23-16(14-26-20)13-24-10-9-22-12-18(24)15-5-4-8-21-11-15/h2-8,11,14,18,22H,9-10,12-13H2,1H3
InChIKeyGNFDCXVLCNNOGV-UHFFFAOYSA-N
XLogP3.36
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;dihydrochloride
CID 120754702
2-(1-ethoxyethyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120754439
2-[(4-fluorophenoxy)methyl]-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120754970
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
2,5,6-trimethyl-4-[4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 120754893
2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870607
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767853
5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one
CID 120755423
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 120754903) is 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole is COc1ccccc1-c1nc(CN2CCNCC2c2cccnc2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is GNFDCXVLCNNOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-25-19-7-3-2-6-17(19)20-23-16(14-26-20)13-24-10-9-22-12-18(24)15-5-4-8-21-11-15/h2-8,11,14,18,22H,9-10,12-13H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 366.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 120754903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).