3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

C15H14ClN3O2S — CID 167908410

IUPAC3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESO=C1NC(Cc2cncs2)C(=O)NC1Cc1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O2S/c16-10-3-1-2-9(4-10)5-12-14(20)19-13(15(21)18-12)6-11-7-17-8-22-11/h1-4,7-8,12-13H,5-6H2,(H,18,21)(H,19,20)
InChIKeyXVOGGEQGZXCTKX-UHFFFAOYSA-N
MW335.82 g/mol
LogP1.56
Rot. Bonds4

About 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 167908410) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID167908410
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESO=C1NC(Cc2cncs2)C(=O)NC1Cc1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O2S/c16-10-3-1-2-9(4-10)5-12-14(20)19-13(15(21)18-12)6-11-7-17-8-22-11/h1-4,7-8,12-13H,5-6H2,(H,18,21)(H,19,20)
InChIKeyXVOGGEQGZXCTKX-UHFFFAOYSA-N
XLogP1.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642220
(4R)-4-[(3-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
CID 98060076
5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole
CID 143886123
7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 11794128
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912430
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
(5S,8S,11S)-5-[(4-bromophenyl)methyl]-11-[(3-chlorophenyl)methyl]-8-(pyridin-3-ylmethyl)-2,6,9,12-tetrazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-3,7,10,13-tetrone
CID 177095010
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
CID 90760388
2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645258
(3R,6S)-6-[(3-chlorophenyl)methyl]-5-oxothiomorpholine-3-carboxylic acid
CID 95002052

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (CID 167908410) is 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is O=C1NC(Cc2cncs2)C(=O)NC1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is XVOGGEQGZXCTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-10-3-1-2-9(4-10)5-12-14(20)19-13(15(21)18-12)6-11-7-17-8-22-11/h1-4,7-8,12-13H,5-6H2,(H,18,21)(H,19,20).
What are the key properties of 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 335.82 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 167908410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).