ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole

C18H27N3O2S — CID 19019432

IUPACethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole
SMILESCCOc1ccccc1.Cc1ncsc1OCCN1CCNCC1
InChIInChI=1S/C10H17N3OS.C8H10O/c1-9-10(15-8-12-9)14-7-6-13-4-2-11-3-5-13;1-2-9-8-6-4-3-5-7-8/h8,11H,2-7H2,1H3;3-7H,2H2,1H3
InChIKeyRBBZVXJPXIZDDO-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.82
Rot. Bonds6

About ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole

ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole (PubChem CID 19019432) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole.

Molecular Properties

Compound Nameethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole
PubChem CID19019432
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Nameethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole
SMILESCCOc1ccccc1.Cc1ncsc1OCCN1CCNCC1
InChIInChI=1S/C10H17N3OS.C8H10O/c1-9-10(15-8-12-9)14-7-6-13-4-2-11-3-5-13;1-2-9-8-6-4-3-5-7-8/h8,11H,2-7H2,1H3;3-7H,2H2,1H3
InChIKeyRBBZVXJPXIZDDO-UHFFFAOYSA-N
XLogP2.82
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 19893371
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
CID 43162465
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
CID 3078068
1-(3-phenoxypropyl)piperazine
CID 2760351
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 70704854
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
CID 119906010
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine
CID 2943811
1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
6-methyl-1-(2-phenoxyethyl)-1,4-diazepane
CID 55017624

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole?
The IUPAC name of ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole (CID 19019432) is ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole.
What is the SMILES notation for ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole?
The canonical SMILES for ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole is CCOc1ccccc1.Cc1ncsc1OCCN1CCNCC1.
What is the InChIKey of ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole?
The InChIKey is RBBZVXJPXIZDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.C8H10O/c1-9-10(15-8-12-9)14-7-6-13-4-2-11-3-5-13;1-2-9-8-6-4-3-5-7-8/h8,11H,2-7H2,1H3;3-7H,2H2,1H3.
What are the key properties of ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole?
ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole has a molecular weight of 349.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole is sourced from PubChem (CID 19019432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).