2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone

C18H23N3O2S — CID 75518435

IUPAC2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1cc(C)cc(OCC(=O)N2CCN(Cc3cncs3)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-14-7-15(2)9-16(8-14)23-12-18(22)21-5-3-20(4-6-21)11-17-10-19-13-24-17/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyGVVDTCJMKAGIFR-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.48
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone

2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 75518435) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
PubChem CID75518435
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1cc(C)cc(OCC(=O)N2CCN(Cc3cncs3)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-14-7-15(2)9-16(8-14)23-12-18(22)21-5-3-20(4-6-21)11-17-10-19-13-24-17/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyGVVDTCJMKAGIFR-UHFFFAOYSA-N
XLogP2.48
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 119934690
7-[[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920591
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9048338
2-(3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2381168
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone
CID 171318576
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 154802265
2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 71854849
2-(3-methylphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30463181

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone (CID 75518435) is 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone is Cc1cc(C)cc(OCC(=O)N2CCN(Cc3cncs3)CC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is GVVDTCJMKAGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-7-15(2)9-16(8-14)23-12-18(22)21-5-3-20(4-6-21)11-17-10-19-13-24-17/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75518435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).