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

C18H19FN6O2S — CID 171836389

IUPAC1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
SMILESCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)cn1
InChIInChI=1S/C18H19FN6O2S/c1-27-7-6-24-10-12(9-21-24)22-17-23-16(11-28-17)14-3-2-13(8-15(14)19)25-5-4-20-18(25)26/h2-3,8-11H,4-7H2,1H3,(H,20,26)(H,22,23)
InChIKeyQVUQATLDYIQLBP-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.07
Rot. Bonds7

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

1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one (PubChem CID 171836389) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
PubChem CID171836389
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC Name1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one
SMILESCOCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)cn1
InChIInChI=1S/C18H19FN6O2S/c1-27-7-6-24-10-12(9-21-24)22-17-23-16(11-28-17)14-3-2-13(8-15(14)19)25-5-4-20-18(25)26/h2-3,8-11H,4-7H2,1H3,(H,20,26)(H,22,23)
InChIKeyQVUQATLDYIQLBP-UHFFFAOYSA-N
XLogP3.07
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.07
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)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one (CID 171836389) is 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-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)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one is COCCn1cc(Nc2nc(-c3ccc(N4CCNC4=O)cc3F)cs2)cn1.
What is the InChIKey of 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
The InChIKey is QVUQATLDYIQLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-27-7-6-24-10-12(9-21-24)22-17-23-16(11-28-17)14-3-2-13(8-15(14)19)25-5-4-20-18(25)26/h2-3,8-11H,4-7H2,1H3,(H,20,26)(H,22,23).
What are the key properties of 1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one?
1-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one has a molecular weight of 402.46 g/mol, XLogP of 3.07, 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)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).