3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one

C18H18ClN3O2S — CID 122329432

IUPAC3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C18H18ClN3O2S/c19-14-4-2-1-3-13(14)18-22(7-8-25-18)17(24)10-21-11-20-15(9-16(21)23)12-5-6-12/h1-4,9,11-12,18H,5-8,10H2
InChIKeyQJPPRPSRUMOFLY-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.05
Rot. Bonds4

About 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one

3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one (PubChem CID 122329432) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
PubChem CID122329432
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C18H18ClN3O2S/c19-14-4-2-1-3-13(14)18-22(7-8-25-18)17(24)10-21-11-20-15(9-16(21)23)12-5-6-12/h1-4,9,11-12,18H,5-8,10H2
InChIKeyQJPPRPSRUMOFLY-UHFFFAOYSA-N
XLogP3.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The IUPAC name of 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one (CID 122329432) is 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one is O=C(Cn1cnc(C2CC2)cc1=O)N1CCSC1c1ccccc1Cl.
What is the InChIKey of 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The InChIKey is QJPPRPSRUMOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-14-4-2-1-3-13(14)18-22(7-8-25-18)17(24)10-21-11-20-15(9-16(21)23)12-5-6-12/h1-4,9,11-12,18H,5-8,10H2.
What are the key properties of 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one has a molecular weight of 375.88 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 122329432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).