1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

C17H14F2N4O2S — CID 87406504

IUPAC1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1cccc(OC(F)F)c1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C17H14F2N4O2S/c18-15(19)25-13-3-1-2-11(8-13)9-21-16(24)23-17-22-14(10-26-17)12-4-6-20-7-5-12/h1-8,10,15H,9H2,(H2,21,22,23,24)
InChIKeyFBMJQQSDGDXVTK-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.13
Rot. Bonds6

About 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87406504) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87406504
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1cccc(OC(F)F)c1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C17H14F2N4O2S/c18-15(19)25-13-3-1-2-11(8-13)9-21-16(24)23-17-22-14(10-26-17)12-4-6-20-7-5-12/h1-8,10,15H,9H2,(H2,21,22,23,24)
InChIKeyFBMJQQSDGDXVTK-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87406504) is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is O=C(NCc1cccc(OC(F)F)c1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is FBMJQQSDGDXVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c18-15(19)25-13-3-1-2-11(8-13)9-21-16(24)23-17-22-14(10-26-17)12-4-6-20-7-5-12/h1-8,10,15H,9H2,(H2,21,22,23,24).
What are the key properties of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 376.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87406504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).