7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H20ClN5O3S — CID 60572281

IUPAC7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1
InChIInChI=1S/C19H20ClN5O3S/c1-2-28-15-4-3-14(20)17(22-15)18(27)24-7-5-23(6-8-24)12-13-11-16(26)25-9-10-29-19(25)21-13/h3-4,9-11H,2,5-8,12H2,1H3
InChIKeyKSBGWLBWBZHMRO-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.16
Rot. Bonds5

About 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60572281) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID60572281
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1
InChIInChI=1S/C19H20ClN5O3S/c1-2-28-15-4-3-14(20)17(22-15)18(27)24-7-5-23(6-8-24)12-13-11-16(26)25-9-10-29-19(25)21-13/h3-4,9-11H,2,5-8,12H2,1H3
InChIKeyKSBGWLBWBZHMRO-UHFFFAOYSA-N
XLogP2.16
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 60572281) is 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCOc1ccc(Cl)c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1.
What is the InChIKey of 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KSBGWLBWBZHMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-2-28-15-4-3-14(20)17(22-15)18(27)24-7-5-23(6-8-24)12-13-11-16(26)25-9-10-29-19(25)21-13/h3-4,9-11H,2,5-8,12H2,1H3.
What are the key properties of 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 433.92 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60572281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).