1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one

C19H21FN6O2S — CID 171836404

IUPAC1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
SMILESCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)c(C)n1
InChIInChI=1S/C19H21FN6O2S/c1-12-16(10-25(24-12)7-8-28-2)22-18-23-17(11-29-18)14-4-3-13(9-15(14)20)26-6-5-21-19(26)27/h3-4,9-11H,5-8H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyYNGAVWNQBGTPAM-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.37
Rot. Bonds7

About 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one

1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one (PubChem CID 171836404) has the molecular formula C19H21FN6O2S and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
PubChem CID171836404
Molecular FormulaC19H21FN6O2S
Molecular Weight416.48 g/mol
Exact Mass416.14
IUPAC Name1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
SMILESCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)c(C)n1
InChIInChI=1S/C19H21FN6O2S/c1-12-16(10-25(24-12)7-8-28-2)22-18-23-17(11-29-18)14-4-3-13(9-15(14)20)26-6-5-21-19(26)27/h3-4,9-11H,5-8H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyYNGAVWNQBGTPAM-UHFFFAOYSA-N
XLogP3.37
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one (CID 171836404) is 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one is COCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)c(C)n1.
What is the InChIKey of 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The InChIKey is YNGAVWNQBGTPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2S/c1-12-16(10-25(24-12)7-8-28-2)22-18-23-17(11-29-18)14-4-3-13(9-15(14)20)26-6-5-21-19(26)27/h3-4,9-11H,5-8H2,1-2H3,(H,21,27)(H,22,23).
What are the key properties of 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one has a molecular weight of 416.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).