anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole

C17H25N3OS — CID 19893371

IUPACanisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
SMILESCOc1ccccc1.Cc1ncsc1CCN1CCNCC1
InChIInChI=1S/C10H17N3S.C7H8O/c1-9-10(14-8-12-9)2-5-13-6-3-11-4-7-13;1-8-7-5-3-2-4-6-7/h8,11H,2-7H2,1H3;2-6H,1H3
InChIKeyPPFGWZPCOHOWCL-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.59
Rot. Bonds4

About anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole

anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole (PubChem CID 19893371) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Nameanisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
PubChem CID19893371
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Nameanisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
SMILESCOc1ccccc1.Cc1ncsc1CCN1CCNCC1
InChIInChI=1S/C10H17N3S.C7H8O/c1-9-10(14-8-12-9)2-5-13-6-3-11-4-7-13;1-8-7-5-3-2-4-6-7/h8,11H,2-7H2,1H3;2-6H,1H3
InChIKeyPPFGWZPCOHOWCL-UHFFFAOYSA-N
XLogP2.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole 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

ethoxybenzene;4-methyl-5-(2-piperazin-1-ylethoxy)-1,3-thiazole
CID 19019432
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 70704854
5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
CID 67918642
1-(3-phenoxypropyl)piperazine
CID 2760351
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 54061893
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 3021501
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 55170339
(3S,4R)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120762370
1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 70769325
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547

Frequently Asked Questions

What is the IUPAC name of anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole?
The IUPAC name of anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole (CID 19893371) is anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole is COc1ccccc1.Cc1ncsc1CCN1CCNCC1.
What is the InChIKey of anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole?
The InChIKey is PPFGWZPCOHOWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S.C7H8O/c1-9-10(14-8-12-9)2-5-13-6-3-11-4-7-13;1-8-7-5-3-2-4-6-7/h8,11H,2-7H2,1H3;2-6H,1H3.
What are the key properties of anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole?
anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole has a molecular weight of 319.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 19893371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).