[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone

C21H28N4O2S — CID 74250244

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cnc(CN3CCCC3)s2)CC1
InChIInChI=1S/C21H28N4O2S/c1-2-27-18-8-4-3-7-17(18)24-11-13-25(14-12-24)21(26)19-15-22-20(28-19)16-23-9-5-6-10-23/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3
InChIKeyGLRICFXTJGECTJ-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.10
Rot. Bonds6

About [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 74250244) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
PubChem CID74250244
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cnc(CN3CCCC3)s2)CC1
InChIInChI=1S/C21H28N4O2S/c1-2-27-18-8-4-3-7-17(18)24-11-13-25(14-12-24)21(26)19-15-22-20(28-19)16-23-9-5-6-10-23/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3
InChIKeyGLRICFXTJGECTJ-UHFFFAOYSA-N
XLogP3.10
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
CID 51362820
1-[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetic acid
CID 171932303
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903657
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 42531125
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 34361675
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 87054456
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 8966514
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903659
[1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidin-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 3901784

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone (CID 74250244) is [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2cnc(CN3CCCC3)s2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is GLRICFXTJGECTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-2-27-18-8-4-3-7-17(18)24-11-13-25(14-12-24)21(26)19-15-22-20(28-19)16-23-9-5-6-10-23/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 400.55 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 74250244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).