1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

C16H11F3N4O2S — CID 127027308

IUPAC1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)25-13-4-3-10(11-2-1-5-20-9-11)8-12(13)22-14(24)23-15-21-6-7-26-15/h1-9H,(H2,21,22,23,24)
InChIKeyBVNWKOFRSDYKKW-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.75
Rot. Bonds4

About 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 127027308) has the molecular formula C16H11F3N4O2S and a molecular weight of 380.35 g/mol. Its IUPAC name is 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID127027308
Molecular FormulaC16H11F3N4O2S
Molecular Weight380.35 g/mol
Exact Mass380.06
IUPAC Name1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)25-13-4-3-10(11-2-1-5-20-9-11)8-12(13)22-14(24)23-15-21-6-7-26-15/h1-9H,(H2,21,22,23,24)
InChIKeyBVNWKOFRSDYKKW-UHFFFAOYSA-N
XLogP4.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
N-Propyl-5-(3-(2-trifluoromethyl-4-methoxyphenyl)-4-pyridyl)thiazole-2-amine
CID 117918880
N-(5-(3-(2-Trifluoromethyl-4-methoxyphenyl)-4-pyridyl)thiazole-2-yl)-2-methylpropanamide
CID 117918919
1-Pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
CID 127027297
1-[3-(6-Methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127027306
1-[5-(6-Methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127027641
1-[5-Pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127034986
US9221808, 1am-HCl
CID 87405190
1-[(1S)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 89421243
1-[[3-(Difluoromethoxy)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406504
1-[5-(6-Methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea
CID 127027298

Frequently Asked Questions

What is the IUPAC name of 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 127027308) is 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F.
What is the InChIKey of 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is BVNWKOFRSDYKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2S/c17-16(18,19)25-13-4-3-10(11-2-1-5-20-9-11)8-12(13)22-14(24)23-15-21-6-7-26-15/h1-9H,(H2,21,22,23,24).
What are the key properties of 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 380.35 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 127027308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).