2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one

C16H25N5O2S2 — CID 168679298

IUPAC2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one
SMILESCC(C)C1CC(=O)NC(SCC(=O)N2CCN(c3nccs3)CC2)N1
InChIInChI=1S/C16H25N5O2S2/c1-11(2)12-9-13(22)19-15(18-12)25-10-14(23)20-4-6-21(7-5-20)16-17-3-8-24-16/h3,8,11-12,15,18H,4-7,9-10H2,1-2H3,(H,19,22)
InChIKeyGIWLYMOENNNJPC-UHFFFAOYSA-N
MW383.54 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one

2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one (PubChem CID 168679298) has the molecular formula C16H25N5O2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one
PubChem CID168679298
Molecular FormulaC16H25N5O2S2
Molecular Weight383.54 g/mol
Exact Mass383.14
IUPAC Name2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one
SMILESCC(C)C1CC(=O)NC(SCC(=O)N2CCN(c3nccs3)CC2)N1
InChIInChI=1S/C16H25N5O2S2/c1-11(2)12-9-13(22)19-15(18-12)25-10-14(23)20-4-6-21(7-5-20)16-17-3-8-24-16/h3,8,11-12,15,18H,4-7,9-10H2,1-2H3,(H,19,22)
InChIKeyGIWLYMOENNNJPC-UHFFFAOYSA-N
XLogP0.94
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Propanamide, 3-(4-methyl-1-piperidyl)-N-(2-thiazolyl)-
CID 574554
1-Thiazol-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 656358
N-Cyclohexyl-N-[(3-methyl-butylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205668
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-4-methyl-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]pentanamide
CID 44308297
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pentanamide
CID 44308298
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pentanamide
CID 44308304
2-(4-Acetylamino-piperidin-1-yl)-N-thiazol-2-yl-acetamide
CID 3220976
N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 18072276
3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 71579742
N-cyclopentyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 1448188
(S)-6-isopropyl-2-((2-(3-methyl-4-(thiazol-2-yl)piperazin-1-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 168679277
2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)-6-propylpyrimidin-4(3H)-one
CID 168679296

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one (CID 168679298) is 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one is CC(C)C1CC(=O)NC(SCC(=O)N2CCN(c3nccs3)CC2)N1.
What is the InChIKey of 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one?
The InChIKey is GIWLYMOENNNJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S2/c1-11(2)12-9-13(22)19-15(18-12)25-10-14(23)20-4-6-21(7-5-20)16-17-3-8-24-16/h3,8,11-12,15,18H,4-7,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one?
2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one has a molecular weight of 383.54 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propan-2-yl-1,3-diazinan-4-one is sourced from PubChem (CID 168679298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).