1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea

C14H17FN4O3S — CID 167327047

IUPAC1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea
SMILESCCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2cncc(F)c2)s1
InChIInChI=1S/C14H17FN4O3S/c1-3-19(8-9(2)20)14(21)18-13-17-7-12(23-13)22-11-4-10(15)5-16-6-11/h4-7,9,20H,3,8H2,1-2H3,(H,17,18,21)/t9-/m0/s1
InChIKeyXFYPNFZQYAVMEE-VIFPVBQESA-N
MW340.38 g/mol
LogP2.70
Rot. Bonds6

About 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea

1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea (PubChem CID 167327047) has the molecular formula C14H17FN4O3S and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea
PubChem CID167327047
Molecular FormulaC14H17FN4O3S
Molecular Weight340.38 g/mol
Exact Mass340.10
IUPAC Name1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea
SMILESCCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2cncc(F)c2)s1
InChIInChI=1S/C14H17FN4O3S/c1-3-19(8-9(2)20)14(21)18-13-17-7-12(23-13)22-11-4-10(15)5-16-6-11/h4-7,9,20H,3,8H2,1-2H3,(H,17,18,21)/t9-/m0/s1
InChIKeyXFYPNFZQYAVMEE-VIFPVBQESA-N
XLogP2.70
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea?
The IUPAC name of 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea (CID 167327047) is 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea?
The canonical SMILES for 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea is CCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2cncc(F)c2)s1.
What is the InChIKey of 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea?
The InChIKey is XFYPNFZQYAVMEE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17FN4O3S/c1-3-19(8-9(2)20)14(21)18-13-17-7-12(23-13)22-11-4-10(15)5-16-6-11/h4-7,9,20H,3,8H2,1-2H3,(H,17,18,21)/t9-/m0/s1.
What are the key properties of 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea?
1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea has a molecular weight of 340.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]urea is sourced from PubChem (CID 167327047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).