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

C14H15F3N4O3S — CID 167327117

IUPAC1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea
SMILESC[C@H](O)CN(C)C(=O)Nc1ncc(Oc2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H15F3N4O3S/c1-8(22)7-21(2)13(23)20-12-19-6-11(25-12)24-10-3-9(4-18-5-10)14(15,16)17/h3-6,8,22H,7H2,1-2H3,(H,19,20,23)/t8-/m0/s1
InChIKeyZDFWQHWRZMYOGO-QMMMGPOBSA-N
MW376.36 g/mol
LogP3.19
Rot. Bonds5

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

1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea (PubChem CID 167327117) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea
PubChem CID167327117
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC Name1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea
SMILESC[C@H](O)CN(C)C(=O)Nc1ncc(Oc2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H15F3N4O3S/c1-8(22)7-21(2)13(23)20-12-19-6-11(25-12)24-10-3-9(4-18-5-10)14(15,16)17/h3-6,8,22H,7H2,1-2H3,(H,19,20,23)/t8-/m0/s1
InChIKeyZDFWQHWRZMYOGO-QMMMGPOBSA-N
XLogP3.19
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea (CID 167327117) is 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea is C[C@H](O)CN(C)C(=O)Nc1ncc(Oc2cncc(C(F)(F)F)c2)s1.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea?
The InChIKey is ZDFWQHWRZMYOGO-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-8(22)7-21(2)13(23)20-12-19-6-11(25-12)24-10-3-9(4-18-5-10)14(15,16)17/h3-6,8,22H,7H2,1-2H3,(H,19,20,23)/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea?
1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea has a molecular weight of 376.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 167327117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).