7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H26N4O3S2 — CID 51462086

IUPAC7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1ccccc1SC[C@@H]1CCCO1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C23H26N4O3S2/c28-21-14-17(24-23-27(21)11-13-31-23)15-25-7-9-26(10-8-25)22(29)19-5-1-2-6-20(19)32-16-18-4-3-12-30-18/h1-2,5-6,11,13-14,18H,3-4,7-10,12,15-16H2/t18-/m0/s1
InChIKeyKKTWOSYYUIMBBD-SFHVURJKSA-N
MW470.62 g/mol
LogP2.99
Rot. Bonds6

About 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51462086) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51462086
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC Name7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1ccccc1SC[C@@H]1CCCO1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C23H26N4O3S2/c28-21-14-17(24-23-27(21)11-13-31-23)15-25-7-9-26(10-8-25)22(29)19-5-1-2-6-20(19)32-16-18-4-3-12-30-18/h1-2,5-6,11,13-14,18H,3-4,7-10,12,15-16H2/t18-/m0/s1
InChIKeyKKTWOSYYUIMBBD-SFHVURJKSA-N
XLogP2.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-[[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43045484
7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 42920599
7-[[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46666805
7-[[4-(1,2-dihydroacenaphthylene-5-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42925929
7-[[4-(4-fluoro-2-iodobenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55685953
7-[[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920574
7-[[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91832153
7-[[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46656410
(3,4-dichlorophenyl)-[1-[2-(oxolan-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]methanone
CID 55956771
N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide
CID 46632626
4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]benzonitrile
CID 46656447
7-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55440289

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51462086) is 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KKTWOSYYUIMBBD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c28-21-14-17(24-23-27(21)11-13-31-23)15-25-7-9-26(10-8-25)22(29)19-5-1-2-6-20(19)32-16-18-4-3-12-30-18/h1-2,5-6,11,13-14,18H,3-4,7-10,12,15-16H2/t18-/m0/s1.
What are the key properties of 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 470.62 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51462086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).