1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C17H21N3O2S2 — CID 7406147

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CSc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C17H21N3O2S2/c1-13-11-23-17(18-13)24-12-16(21)20-9-7-19(8-10-20)14-3-5-15(22-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3
InChIKeyXQHPABCXTZKFSM-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.90
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 7406147) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID7406147
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CSc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C17H21N3O2S2/c1-13-11-23-17(18-13)24-12-16(21)20-9-7-19(8-10-20)14-3-5-15(22-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3
InChIKeyXQHPABCXTZKFSM-UHFFFAOYSA-N
XLogP2.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]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

1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-pyrrolidin-2-one
CID 10047430
N-(2-Methoxy-phenyl)-3-(4-methyl-thiazol-2-ylsulfanyl)-propionamide
CID 3882075
N-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4305027
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532889
Ethyl 2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2998339
1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-piperidin-2-one
CID 10342554
1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816858
2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 850475
2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 863792
4-[4-(4-Methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one
CID 122654166
US11033539, Cpd. No. 11-4
CID 162370336
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438320

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 7406147) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is COc1ccc(N2CCN(C(=O)CSc3nc(C)cs3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is XQHPABCXTZKFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-13-11-23-17(18-13)24-12-16(21)20-9-7-19(8-10-20)14-3-5-15(22-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 363.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 7406147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).