2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C15H19N5OS2 — CID 30777908

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C)nc(SCC(=O)N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C15H19N5OS2/c1-11-9-12(2)18-14(17-11)23-10-13(21)19-4-6-20(7-5-19)15-16-3-8-22-15/h3,8-9H,4-7,10H2,1-2H3
InChIKeyYPNLEXBMWNVIRK-UHFFFAOYSA-N
MW349.49 g/mol
LogP1.99
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 30777908) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID30777908
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C)nc(SCC(=O)N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C15H19N5OS2/c1-11-9-12(2)18-14(17-11)23-10-13(21)19-4-6-20(7-5-19)15-16-3-8-22-15/h3,8-9H,4-7,10H2,1-2H3
InChIKeyYPNLEXBMWNVIRK-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9152988
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 32651890
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 169040529
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 30778210
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 30777908) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is Cc1cc(C)nc(SCC(=O)N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is YPNLEXBMWNVIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS2/c1-11-9-12(2)18-14(17-11)23-10-13(21)19-4-6-20(7-5-19)15-16-3-8-22-15/h3,8-9H,4-7,10H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 349.49 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 30777908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).