3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one

C19H25N3O2S — CID 70704854

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2S/c1-16-18(25-15-20-16)7-8-19(23)22-11-9-21(10-12-22)13-14-24-17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3
InChIKeySLYBCGVNPNWKAR-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.61
Rot. Bonds7

About 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one

3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 70704854) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
PubChem CID70704854
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2S/c1-16-18(25-15-20-16)7-8-19(23)22-11-9-21(10-12-22)13-14-24-17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3
InChIKeySLYBCGVNPNWKAR-UHFFFAOYSA-N
XLogP2.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
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1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 86978435
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
3-(4-methyl-1,3-thiazol-5-yl)-1-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
CID 70708808
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
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CID 8850901
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70786598
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 136547554
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one (CID 70704854) is 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one is Cc1ncsc1CCC(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is SLYBCGVNPNWKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-16-18(25-15-20-16)7-8-19(23)22-11-9-21(10-12-22)13-14-24-17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one?
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 359.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70704854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).