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

C17H21N3O3S — CID 24712995

IUPAC[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1OCc1nc(C(=O)N2CCN(C)CC2)cs1
InChIInChI=1S/C17H21N3O3S/c1-19-7-9-20(10-8-19)17(21)13-12-24-16(18-13)11-23-15-6-4-3-5-14(15)22-2/h3-6,12H,7-11H2,1-2H3
InChIKeyRDQITYDYNXJNBH-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.12
Rot. Bonds5

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

[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 24712995) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID24712995
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1OCc1nc(C(=O)N2CCN(C)CC2)cs1
InChIInChI=1S/C17H21N3O3S/c1-19-7-9-20(10-8-19)17(21)13-12-24-16(18-13)11-23-15-6-4-3-5-14(15)22-2/h3-6,12H,7-11H2,1-2H3
InChIKeyRDQITYDYNXJNBH-UHFFFAOYSA-N
XLogP2.12
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 24712995) is [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccccc1OCc1nc(C(=O)N2CCN(C)CC2)cs1.
What is the InChIKey of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RDQITYDYNXJNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-19-7-9-20(10-8-19)17(21)13-12-24-16(18-13)11-23-15-6-4-3-5-14(15)22-2/h3-6,12H,7-11H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 347.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 24712995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).