4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole

C20H22N4OS — CID 103597491

IUPAC4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccnc(N4CCN(C)CC4)c3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-23-9-11-24(12-10-23)19-13-16(7-8-21-19)20-22-18(14-26-20)15-3-5-17(25-2)6-4-15/h3-8,13-14H,9-12H2,1-2H3
InChIKeyXWORGZNFHSTEGL-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.63
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole

4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole (PubChem CID 103597491) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
PubChem CID103597491
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccnc(N4CCN(C)CC4)c3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-23-9-11-24(12-10-23)19-13-16(7-8-21-19)20-22-18(14-26-20)15-3-5-17(25-2)6-4-15/h3-8,13-14H,9-12H2,1-2H3
InChIKeyXWORGZNFHSTEGL-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597501
4-(4-methoxy-2,6-dimethylphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597458
4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597457
N,N-diethyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 103597410
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597524
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319327
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427087
2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 108775748
4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 134273339

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole (CID 103597491) is 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole is COc1ccc(-c2csc(-c3ccnc(N4CCN(C)CC4)c3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole?
The InChIKey is XWORGZNFHSTEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-23-9-11-24(12-10-23)19-13-16(7-8-21-19)20-22-18(14-26-20)15-3-5-17(25-2)6-4-15/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole?
4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole has a molecular weight of 366.49 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 103597491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).