[4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C18H21N3OS3 — CID 18230696

IUPAC[4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(C2SCCCS2)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H21N3OS3/c22-16(20-7-9-21(10-8-20)18-19-6-13-25-18)14-2-4-15(5-3-14)17-23-11-1-12-24-17/h2-6,13,17H,1,7-12H2
InChIKeyUKUWODBOXSKTLR-UHFFFAOYSA-N
MW391.59 g/mol
LogP3.97
Rot. Bonds3

About [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 18230696) has the molecular formula C18H21N3OS3 and a molecular weight of 391.59 g/mol. Its IUPAC name is [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID18230696
Molecular FormulaC18H21N3OS3
Molecular Weight391.59 g/mol
Exact Mass391.08
IUPAC Name[4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(C2SCCCS2)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H21N3OS3/c22-16(20-7-9-21(10-8-20)18-19-6-13-25-18)14-2-4-15(5-3-14)17-23-11-1-12-24-17/h2-6,13,17H,1,7-12H2
InChIKeyUKUWODBOXSKTLR-UHFFFAOYSA-N
XLogP3.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.59
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

2-[4-(1,3-dithian-2-yl)phenoxy]-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 51126149
[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 32758997
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18138990
N-[[4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 18138954
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43040249
[4-(1,3-dithiolan-2-yl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24610403
[4-(1,3-dithian-2-yl)phenyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850061
4-acetyl-N-[4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 43040246
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
[4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9081384
(2-anilinopyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 72914559

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 18230696) is [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1ccc(C2SCCCS2)cc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is UKUWODBOXSKTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS3/c22-16(20-7-9-21(10-8-20)18-19-6-13-25-18)14-2-4-15(5-3-14)17-23-11-1-12-24-17/h2-6,13,17H,1,7-12H2.
What are the key properties of [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 391.59 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dithian-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18230696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).