[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C19H19N3OS2 — CID 134044933

IUPAC[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2ccsc2C(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C19H19N3OS2/c1-14-2-4-15(5-3-14)16-6-12-24-17(16)18(23)21-8-10-22(11-9-21)19-20-7-13-25-19/h2-7,12-13H,8-11H2,1H3
InChIKeyWXCRAUNSIBCVJL-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.14
Rot. Bonds3

About [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 134044933) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID134044933
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2ccsc2C(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C19H19N3OS2/c1-14-2-4-15(5-3-14)16-6-12-24-17(16)18(23)21-8-10-22(11-9-21)19-20-7-13-25-19/h2-7,12-13H,8-11H2,1H3
InChIKeyWXCRAUNSIBCVJL-UHFFFAOYSA-N
XLogP4.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 112800363
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62511266
[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 55917383
1,4-diazepan-1-yl-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119414236
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
N-cyclohexyl-N-methyl-4-[3-(4-methylphenyl)thiophene-2-carbonyl]piperazine-1-sulfonamide
CID 55599951
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 104740876

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 134044933) is [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1ccc(-c2ccsc2C(=O)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is WXCRAUNSIBCVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-14-2-4-15(5-3-14)16-6-12-24-17(16)18(23)21-8-10-22(11-9-21)19-20-7-13-25-19/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 369.52 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134044933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).