1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

C16H10F4N4OS — CID 24896119

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1ccc(F)c(C(F)(F)F)c1)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H10F4N4OS/c17-12-4-3-10(6-11(12)16(18,19)20)24(14(21)25)15-23-13(8-26-15)9-2-1-5-22-7-9/h1-8H,(H2,21,25)
InChIKeyJBSIOXNVUHMPJS-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.58
Rot. Bonds3

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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 24896119) has the molecular formula C16H10F4N4OS and a molecular weight of 382.34 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
PubChem CID24896119
Molecular FormulaC16H10F4N4OS
Molecular Weight382.34 g/mol
Exact Mass382.05
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1ccc(F)c(C(F)(F)F)c1)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H10F4N4OS/c17-12-4-3-10(6-11(12)16(18,19)20)24(14(21)25)15-23-13(8-26-15)9-2-1-5-22-7-9/h1-8H,(H2,21,25)
InChIKeyJBSIOXNVUHMPJS-UHFFFAOYSA-N
XLogP4.58
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-pentoxy-3-(trifluoromethyl)phenyl]-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxamide
CID 58966267
1-(4-hexoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 24896460
2-(dimethylamino)-N-[4-octoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 24896323
1-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-1-[4-pentoxy-3-(trifluoromethyl)phenyl]urea
CID 24896071
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-2-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 123767053
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 24896501
N-[4-(1,1-difluorooctyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 58966366
5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 157240234
(4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid
CID 154485820
1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 157342364
[2-[N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-pentoxy-3-(trifluoromethyl)anilino]-2-oxoethyl] acetate
CID 58966288
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 24896119) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is NC(=O)N(c1ccc(F)c(C(F)(F)F)c1)c1nc(-c2cccnc2)cs1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The InChIKey is JBSIOXNVUHMPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4OS/c17-12-4-3-10(6-11(12)16(18,19)20)24(14(21)25)15-23-13(8-26-15)9-2-1-5-22-7-9/h1-8H,(H2,21,25).
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 382.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 24896119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).