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

C17H21N3O2S — CID 24712422

IUPAC[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(OCc2nc(C(=O)N3CCN(C)CC3)cs2)c1
InChIInChI=1S/C17H21N3O2S/c1-13-4-3-5-14(10-13)22-11-16-18-15(12-23-16)17(21)20-8-6-19(2)7-9-20/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyVDUHTPMFZJEKDH-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.42
Rot. Bonds4

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

[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 24712422) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID24712422
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(OCc2nc(C(=O)N3CCN(C)CC3)cs2)c1
InChIInChI=1S/C17H21N3O2S/c1-13-4-3-5-14(10-13)22-11-16-18-15(12-23-16)17(21)20-8-6-19(2)7-9-20/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyVDUHTPMFZJEKDH-UHFFFAOYSA-N
XLogP2.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82295832
[4-[2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115159
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 119710646
(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 56810579
[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 42835488
(4-benzyl-1,4-diazepan-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 18157563
[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572485
2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745420
2-[3-(3-methylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 82054904
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
[4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976105

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 24712422) is [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cccc(OCc2nc(C(=O)N3CCN(C)CC3)cs2)c1.
What is the InChIKey of [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VDUHTPMFZJEKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-4-3-5-14(10-13)22-11-16-18-15(12-23-16)17(21)20-8-6-19(2)7-9-20/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 24712422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).