1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone

C17H20ClN3O2S — CID 170861975

IUPAC1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc(OCc3cnc(Cl)s3)cc2)CC1
InChIInChI=1S/C17H20ClN3O2S/c1-20-6-8-21(9-7-20)11-16(22)13-2-4-14(5-3-13)23-12-15-10-19-17(18)24-15/h2-5,10H,6-9,11-12H2,1H3
InChIKeyGCQGBZQFQXIPDU-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.81
Rot. Bonds6

About 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone

1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861975) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861975
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc(OCc3cnc(Cl)s3)cc2)CC1
InChIInChI=1S/C17H20ClN3O2S/c1-20-6-8-21(9-7-20)11-16(22)13-2-4-14(5-3-13)23-12-15-10-19-17(18)24-15/h2-5,10H,6-9,11-12H2,1H3
InChIKeyGCQGBZQFQXIPDU-UHFFFAOYSA-N
XLogP2.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone 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

2-(4-methylpiperazin-1-yl)-1-(4-octadecoxyphenyl)ethanone
CID 170861782
4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide
CID 166187595
2-chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
2-(4-methylpiperazin-1-yl)-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone;hydrochloride
CID 170862252
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid
CID 170861345
[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl] trifluoromethanesulfonate
CID 170861800
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
4-[(4-methylpiperazin-1-yl)methoxy]benzoic acid
CID 20993713
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
CID 110314944
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone (CID 170861975) is 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2ccc(OCc3cnc(Cl)s3)cc2)CC1.
What is the InChIKey of 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is GCQGBZQFQXIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-20-6-8-21(9-7-20)11-16(22)13-2-4-14(5-3-13)23-12-15-10-19-17(18)24-15/h2-5,10H,6-9,11-12H2,1H3.
What are the key properties of 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 365.89 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).