4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

C15H19N3OS — CID 28750266

IUPAC4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(CN3CCNCC3)n2)c1
InChIInChI=1S/C15H19N3OS/c1-19-13-4-2-3-12(9-13)14-11-20-15(17-14)10-18-7-5-16-6-8-18/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyWCTTWQJGUGVXFU-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.22
Rot. Bonds4

About 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 28750266) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID28750266
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(CN3CCNCC3)n2)c1
InChIInChI=1S/C15H19N3OS/c1-19-13-4-2-3-12(9-13)14-11-20-15(17-14)10-18-7-5-16-6-8-18/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyWCTTWQJGUGVXFU-UHFFFAOYSA-N
XLogP2.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (CID 28750266) is 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is COc1cccc(-c2csc(CN3CCNCC3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is WCTTWQJGUGVXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-13-4-2-3-12(9-13)14-11-20-15(17-14)10-18-7-5-16-6-8-18/h2-4,9,11,16H,5-8,10H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 289.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 28750266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).