5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole

C18H25N3O2S — CID 77090810

IUPAC5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
SMILESCOCCN1CCN(Cc2cnc(-c3cccc(OC)c3)s2)CC1
InChIInChI=1S/C18H25N3O2S/c1-22-11-10-20-6-8-21(9-7-20)14-17-13-19-18(24-17)15-4-3-5-16(12-15)23-2/h3-5,12-13H,6-11,14H2,1-2H3
InChIKeyVRMRRDKJUAZMKY-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.58
Rot. Bonds7

About 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole

5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 77090810) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
PubChem CID77090810
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
SMILESCOCCN1CCN(Cc2cnc(-c3cccc(OC)c3)s2)CC1
InChIInChI=1S/C18H25N3O2S/c1-22-11-10-20-6-8-21(9-7-20)14-17-13-19-18(24-17)15-4-3-5-16(12-15)23-2/h3-5,12-13H,6-11,14H2,1-2H3
InChIKeyVRMRRDKJUAZMKY-UHFFFAOYSA-N
XLogP2.58
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
1-[(1R,5S)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
CID 56901845
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917459
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897925
1-(2-methoxyethyl)-3-methyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227051
2-cyclohexyl-6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947628
(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97145131
N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863
3-[(4-methoxyphenyl)methyl]-1-methyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229840
1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
CID 70735507

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole (CID 77090810) is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole is COCCN1CCN(Cc2cnc(-c3cccc(OC)c3)s2)CC1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is VRMRRDKJUAZMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-22-11-10-20-6-8-21(9-7-20)14-17-13-19-18(24-17)15-4-3-5-16(12-15)23-2/h3-5,12-13H,6-11,14H2,1-2H3.
What are the key properties of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole?
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 347.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 77090810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).