1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C16H19N3OS2 — CID 119040973

IUPAC1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCN1CCN(C(=O)CSc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3OS2/c1-18-7-9-19(10-8-18)15(20)12-22-16-17-14(11-21-16)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyLIXSXUVIAIIUIA-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.68
Rot. Bonds4

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

1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 119040973) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID119040973
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCN1CCN(C(=O)CSc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3OS2/c1-18-7-9-19(10-8-18)15(20)12-22-16-17-14(11-21-16)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyLIXSXUVIAIIUIA-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 51216012
N-phenyl-4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxamide
CID 24518805
1-(3,5-dimethylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4259501
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 112783039
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 24569296
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
ethyl 1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxylate
CID 112778360
N-(2-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3678775
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 54455435
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 23745809

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 119040973) is 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone is CN1CCN(C(=O)CSc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is LIXSXUVIAIIUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-18-7-9-19(10-8-18)15(20)12-22-16-17-14(11-21-16)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 333.48 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 119040973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).