1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one

C19H12Cl2FN3O2S — CID 50942916

IUPAC1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2nc(-c3cc(F)cc(Cl)c3)c(-c3cccc(Cl)c3)s2)CN1
InChIInChI=1S/C19H12Cl2FN3O2S/c20-12-3-1-2-10(4-12)17-16(11-5-13(21)7-14(22)6-11)24-18(28-17)19(27)25-8-15(26)23-9-25/h1-7H,8-9H2,(H,23,26)
InChIKeyPIRSIGSDCCNJCC-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.45
Rot. Bonds3

About 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one

1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one (PubChem CID 50942916) has the molecular formula C19H12Cl2FN3O2S and a molecular weight of 436.30 g/mol. Its IUPAC name is 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one
PubChem CID50942916
Molecular FormulaC19H12Cl2FN3O2S
Molecular Weight436.30 g/mol
Exact Mass435.00
IUPAC Name1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2nc(-c3cc(F)cc(Cl)c3)c(-c3cccc(Cl)c3)s2)CN1
InChIInChI=1S/C19H12Cl2FN3O2S/c20-12-3-1-2-10(4-12)17-16(11-5-13(21)7-14(22)6-11)24-18(28-17)19(27)25-8-15(26)23-9-25/h1-7H,8-9H2,(H,23,26)
InChIKeyPIRSIGSDCCNJCC-UHFFFAOYSA-N
XLogP4.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one (CID 50942916) is 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one is O=C1CN(C(=O)c2nc(-c3cc(F)cc(Cl)c3)c(-c3cccc(Cl)c3)s2)CN1.
What is the InChIKey of 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one?
The InChIKey is PIRSIGSDCCNJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN3O2S/c20-12-3-1-2-10(4-12)17-16(11-5-13(21)7-14(22)6-11)24-18(28-17)19(27)25-8-15(26)23-9-25/h1-7H,8-9H2,(H,23,26).
What are the key properties of 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one?
1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one has a molecular weight of 436.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 50942916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).