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

C19H19N5OS2 — CID 51216012

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CSc1nc(-c2ccccc2)cs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19N5OS2/c25-17(23-9-11-24(12-10-23)18-20-7-4-8-21-18)14-27-19-22-16(13-26-19)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyGVWMAWGRQAMIHY-UHFFFAOYSA-N
MW397.53 g/mol
LogP3.04
Rot. Bonds5

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

2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 51216012) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID51216012
Molecular FormulaC19H19N5OS2
Molecular Weight397.53 g/mol
Exact Mass397.10
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CSc1nc(-c2ccccc2)cs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19N5OS2/c25-17(23-9-11-24(12-10-23)18-20-7-4-8-21-18)14-27-19-22-16(13-26-19)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyGVWMAWGRQAMIHY-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 119040973
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
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 46986100
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 24569296
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542517
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 112783039
4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17446060
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 46574933
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 51216012) is 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CSc1nc(-c2ccccc2)cs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is GVWMAWGRQAMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS2/c25-17(23-9-11-24(12-10-23)18-20-7-4-8-21-18)14-27-19-22-16(13-26-19)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2.
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 397.53 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 51216012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).