1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one

C20H24N6O3S — CID 171836235

IUPAC1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
SMILESCCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3)cs2)c(OC)n1
InChIInChI=1S/C20H24N6O3S/c1-3-29-11-10-25-12-16(18(24-25)28-2)22-19-23-17(13-30-19)14-4-6-15(7-5-14)26-9-8-21-20(26)27/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyZERSRFVTZACSSX-UHFFFAOYSA-N
MW428.52 g/mol
LogP3.32
Rot. Bonds9

About 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one

1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one (PubChem CID 171836235) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
PubChem CID171836235
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
SMILESCCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3)cs2)c(OC)n1
InChIInChI=1S/C20H24N6O3S/c1-3-29-11-10-25-12-16(18(24-25)28-2)22-19-23-17(13-30-19)14-4-6-15(7-5-14)26-9-8-21-20(26)27/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyZERSRFVTZACSSX-UHFFFAOYSA-N
XLogP3.32
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one (CID 171836235) is 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one is CCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3)cs2)c(OC)n1.
What is the InChIKey of 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The InChIKey is ZERSRFVTZACSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-3-29-11-10-25-12-16(18(24-25)28-2)22-19-23-17(13-30-19)14-4-6-15(7-5-14)26-9-8-21-20(26)27/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,27)(H,22,23).
What are the key properties of 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one has a molecular weight of 428.52 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[1-(2-ethoxyethyl)-3-methoxypyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).