[3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C19H17N3O2S2 — CID 53484622

IUPAC[3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccns2)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H17N3O2S2/c23-18(15-4-1-3-14(13-15)16-6-7-20-26-16)21-8-10-22(11-9-21)19(24)17-5-2-12-25-17/h1-7,12-13H,8-11H2
InChIKeyNFRHPQGMNHGZLL-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.47
Rot. Bonds3

About [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

[3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 53484622) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID53484622
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name[3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccns2)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H17N3O2S2/c23-18(15-4-1-3-14(13-15)16-6-7-20-26-16)21-8-10-22(11-9-21)19(24)17-5-2-12-25-17/h1-7,12-13H,8-11H2
InChIKeyNFRHPQGMNHGZLL-UHFFFAOYSA-N
XLogP3.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 86780452
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 60788153
[3-(pyrrolidin-3-ylmethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 171708776
[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 91629488

Frequently Asked Questions

What is the IUPAC name of [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 53484622) is [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cccc(-c2ccns2)c1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is NFRHPQGMNHGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c23-18(15-4-1-3-14(13-15)16-6-7-20-26-16)21-8-10-22(11-9-21)19(24)17-5-2-12-25-17/h1-7,12-13H,8-11H2.
What are the key properties of [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
[3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2-thiazol-5-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53484622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).