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

C16H25N5O2S2 — CID 168679296

IUPAC2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-1,3-diazinan-4-one
SMILESCCCC1CC(=O)NC(SCC(=O)N2CCN(c3nccs3)CC2)N1
InChIInChI=1S/C16H25N5O2S2/c1-2-3-12-10-13(22)19-15(18-12)25-11-14(23)20-5-7-21(8-6-20)16-17-4-9-24-16/h4,9,12,15,18H,2-3,5-8,10-11H2,1H3,(H,19,22)
InChIKeyAEGNEGCMYWNLFK-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.09
Rot. Bonds6

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

2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-1,3-diazinan-4-one (PubChem CID 168679296) 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-propyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-1,3-diazinan-4-one
PubChem CID168679296
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-propyl-1,3-diazinan-4-one
SMILESCCCC1CC(=O)NC(SCC(=O)N2CCN(c3nccs3)CC2)N1
InChIInChI=1S/C16H25N5O2S2/c1-2-3-12-10-13(22)19-15(18-12)25-11-14(23)20-5-7-21(8-6-20)16-17-4-9-24-16/h4,9,12,15,18H,2-3,5-8,10-11H2,1H3,(H,19,22)
InChIKeyAEGNEGCMYWNLFK-UHFFFAOYSA-N
XLogP1.09
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-1,3-diazinan-4-one with MolForge

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Related Compounds

2-(4-Acetylamino-piperidin-1-yl)-N-thiazol-2-yl-acetamide
CID 3220976
(S)-6-isopropyl-2-((2-(3-methyl-4-(thiazol-2-yl)piperazin-1-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 168679277
6-isopropyl-2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 168679298
N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 37258865
N-carbamoyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 45802998
2-[4-(1,3-Thiazol-2-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 47152076
1-Piperidin-1-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 53521179
(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide
CID 11912450
3,3-dimethyl-N-(1-(thiazol-2-yl)piperidin-4-yl)butanamide
CID 71809994
1-(methylsulfonyl)-N-(1-(thiazol-2-yl)piperidin-4-yl)piperidine-4-carboxamide
CID 71810019
2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)-N-(1-(thiazol-2-yl)piperidin-4-yl)acetamide
CID 71810057
1-Cyclopentyl-5-{[4-(1,3-thiazol-2-yl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 72883016

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-propyl-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-propyl-1,3-diazinan-4-one (CID 168679296) is 2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-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-propyl-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-propyl-1,3-diazinan-4-one is CCCC1CC(=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-propyl-1,3-diazinan-4-one?
The InChIKey is AEGNEGCMYWNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S2/c1-2-3-12-10-13(22)19-15(18-12)25-11-14(23)20-5-7-21(8-6-20)16-17-4-9-24-16/h4,9,12,15,18H,2-3,5-8,10-11H2,1H3,(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-propyl-1,3-diazinan-4-one?
2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-1,3-diazinan-4-one has a molecular weight of 383.54 g/mol, XLogP of 1.09, 6 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-propyl-1,3-diazinan-4-one is sourced from PubChem (CID 168679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).