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

C19H21FN6O2S — CID 171836341

IUPAC1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one
SMILESCCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)cn1
InChIInChI=1S/C19H21FN6O2S/c1-2-28-8-7-25-11-13(10-22-25)23-18-24-17(12-29-18)15-4-3-14(9-16(15)20)26-6-5-21-19(26)27/h3-4,9-12H,2,5-8H2,1H3,(H,21,27)(H,23,24)
InChIKeyUNJOWGDEVORXGG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.46
Rot. Bonds8

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

1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one (PubChem CID 171836341) has the molecular formula C19H21FN6O2S and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one
PubChem CID171836341
Molecular FormulaC19H21FN6O2S
Molecular Weight416.48 g/mol
Exact Mass416.14
IUPAC Name1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one
SMILESCCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)cn1
InChIInChI=1S/C19H21FN6O2S/c1-2-28-8-7-25-11-13(10-22-25)23-18-24-17(12-29-18)15-4-3-14(9-16(15)20)26-6-5-21-19(26)27/h3-4,9-12H,2,5-8H2,1H3,(H,21,27)(H,23,24)
InChIKeyUNJOWGDEVORXGG-UHFFFAOYSA-N
XLogP3.46
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.46
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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Related Compounds

(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((R)-2-(2-(2-fluorophenylamino)thiazol-4-yl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide
CID 54587745
(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-2,3-dihydroxy-4-((R)-2-(2-(methylamino)thiazol-4-yl)pyrrolidin-1-yl)-4-oxobutanamide
CID 53232907
(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((R)-2-(2-(ethylamino)thiazol-4-yl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide
CID 53232908
(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-2,3-dihydroxy-4-((R)-2-(2-(isopropylamino)thiazol-4-yl)pyrrolidin-1-yl)-4-oxobutanamide
CID 53233014
(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-2,3-dihydroxy-4-oxo-4-((R)-2-(2-(pyridin-3-ylamino)thiazol-4-yl)pyrrolidin-1-yl)butanamide
CID 54581886
(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((2R,4R)-2-(2-(ethylamino)thiazol-4-yl)-4-methylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide
CID 54581923
(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((R)-4,4-difluoro-2-(2-(methylamino)thiazol-4-yl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide
CID 54581924
Rac-(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-2,3-dihydroxy-4-(2-methyl-2-(2-(methylamino)thiazol-4-yl)pyrrolidin-1-yl)-4-oxobutanamide
CID 54583850
3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 58532021
N-(3-tert-butyl-1-propylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875492
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875879
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657800

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one (CID 171836341) is 1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-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)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one is CCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)cn1.
What is the InChIKey of 1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one?
The InChIKey is UNJOWGDEVORXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2S/c1-2-28-8-7-25-11-13(10-22-25)23-18-24-17(12-29-18)15-4-3-14(9-16(15)20)26-6-5-21-19(26)27/h3-4,9-12H,2,5-8H2,1H3,(H,21,27)(H,23,24).
What are the key properties of 1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one?
1-[4-[2-[[1-(2-ethoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one has a molecular weight of 416.48 g/mol, XLogP of 3.46, 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)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]-3-fluorophenyl]imidazolidin-2-one is sourced from PubChem (CID 171836341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).