1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one

C20H23FN6O2S — CID 171836185

IUPAC1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one
SMILESCCOCCn1ncc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)c1C
InChIInChI=1S/C20H23FN6O2S/c1-3-29-9-8-27-13(2)17(11-23-27)24-19-25-18(12-30-19)15-5-4-14(10-16(15)21)26-7-6-22-20(26)28/h4-5,10-12H,3,6-9H2,1-2H3,(H,22,28)(H,24,25)
InChIKeyBATNBNHRGSSVSS-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.76
Rot. Bonds8

About 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one

1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one (PubChem CID 171836185) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one
PubChem CID171836185
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC Name1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one
SMILESCCOCCn1ncc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)c1C
InChIInChI=1S/C20H23FN6O2S/c1-3-29-9-8-27-13(2)17(11-23-27)24-19-25-18(12-30-19)15-5-4-14(10-16(15)21)26-7-6-22-20(26)28/h4-5,10-12H,3,6-9H2,1-2H3,(H,22,28)(H,24,25)
InChIKeyBATNBNHRGSSVSS-UHFFFAOYSA-N
XLogP3.76
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one (CID 171836185) is 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one is CCOCCn1ncc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)c1C.
What is the InChIKey of 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one?
The InChIKey is BATNBNHRGSSVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c1-3-29-9-8-27-13(2)17(11-23-27)24-19-25-18(12-30-19)15-5-4-14(10-16(15)21)26-7-6-22-20(26)28/h4-5,10-12H,3,6-9H2,1-2H3,(H,22,28)(H,24,25).
What are the key properties of 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one?
1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[1-(2-ethoxyethyl)-5-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one is sourced from PubChem (CID 171836185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).