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

C15H17N3OS — CID 110372090

IUPAC(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C15H17N3OS/c1-17-6-8-18(9-7-17)15(19)13-4-2-3-12(11-13)14-16-5-10-20-14/h2-5,10-11H,6-9H2,1H3
InChIKeyCEJNLWRTONQKKO-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.20
Rot. Bonds2

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

(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 110372090) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID110372090
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C15H17N3OS/c1-17-6-8-18(9-7-17)15(19)13-4-2-3-12(11-13)14-16-5-10-20-14/h2-5,10-11H,6-9H2,1H3
InChIKeyCEJNLWRTONQKKO-UHFFFAOYSA-N
XLogP2.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372125
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118771311
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 126448230
[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
CID 174584749
CID 174584749
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone (CID 110372090) is (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone is CN1CCN(C(=O)c2cccc(-c3nccs3)c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is CEJNLWRTONQKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-17-6-8-18(9-7-17)15(19)13-4-2-3-12(11-13)14-16-5-10-20-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 287.39 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 110372090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).