[2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone

C20H21N3O2S2 — CID 120733413

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C20H21N3O2S2/c1-13-18(27-19(22-13)17-8-5-11-26-17)20(24)23-10-9-21-12-15(23)14-6-3-4-7-16(14)25-2/h3-8,11,15,21H,9-10,12H2,1-2H3
InChIKeyMBLQIKRPVWSCKN-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.98
Rot. Bonds4

About [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone

[2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 120733413) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID120733413
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C20H21N3O2S2/c1-13-18(27-19(22-13)17-8-5-11-26-17)20(24)23-10-9-21-12-15(23)14-6-3-4-7-16(14)25-2/h3-8,11,15,21H,9-10,12H2,1-2H3
InChIKeyMBLQIKRPVWSCKN-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734216
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120733094
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 120734494
(2-benzyl-1,3-thiazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732761
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120733828
(1,3-dimethyl-4-nitropyrazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734599
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120739504
(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764339
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 110109299
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 129349791

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone (CID 120733413) is [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone is COc1ccccc1C1CNCCN1C(=O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is MBLQIKRPVWSCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-13-18(27-19(22-13)17-8-5-11-26-17)20(24)23-10-9-21-12-15(23)14-6-3-4-7-16(14)25-2/h3-8,11,15,21H,9-10,12H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 399.54 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 120733413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).