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

C23H27ClN4O4S — CID 42920599

IUPAC7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=C(c1ccc(OCC2CCCO2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C23H26N4O4S.ClH/c28-21-14-18(24-23-27(21)11-13-32-23)15-25-7-9-26(10-8-25)22(29)17-3-5-19(6-4-17)31-16-20-2-1-12-30-20;/h3-6,11,13-14,20H,1-2,7-10,12,15-16H2;1H
InChIKeyZJUGFWZJOUYVJX-UHFFFAOYSA-N
MW491.01 g/mol
LogP2.69
Rot. Bonds6

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

7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (PubChem CID 42920599) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
PubChem CID42920599
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=C(c1ccc(OCC2CCCO2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C23H26N4O4S.ClH/c28-21-14-18(24-23-27(21)11-13-32-23)15-25-7-9-26(10-8-25)22(29)17-3-5-19(6-4-17)31-16-20-2-1-12-30-20;/h3-6,11,13-14,20H,1-2,7-10,12,15-16H2;1H
InChIKeyZJUGFWZJOUYVJX-UHFFFAOYSA-N
XLogP2.69
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238
4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]benzonitrile
CID 46656447
7-[[4-[2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51462086
7-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51257557
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 97013755
N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide
CID 46632626
7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60572281
7-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55440289
7-[[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51313958
7-[[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46666805
7-[[4-[4-(4-chloro-3-methylphenoxy)butanoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46656381

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (CID 42920599) is 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is Cl.O=C(c1ccc(OCC2CCCO2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The InChIKey is ZJUGFWZJOUYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S.ClH/c28-21-14-18(24-23-27(21)11-13-32-23)15-25-7-9-26(10-8-25)22(29)17-3-5-19(6-4-17)31-16-20-2-1-12-30-20;/h3-6,11,13-14,20H,1-2,7-10,12,15-16H2;1H.
What are the key properties of 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride has a molecular weight of 491.01 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 42920599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).