(4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid

C16H10F3N3O2S — CID 154485820

IUPAC(4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)11-2-1-3-12(8-11)22(15(23)24)14-21-13(9-25-14)10-4-6-20-7-5-10/h1-9H,(H,23,24)
InChIKeyWGXHNGHFFXBDCE-UHFFFAOYSA-N
MW365.34 g/mol
LogP5.04
Rot. Bonds3

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

(4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 154485820) has the molecular formula C16H10F3N3O2S and a molecular weight of 365.34 g/mol. Its IUPAC name is (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name(4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid
PubChem CID154485820
Molecular FormulaC16H10F3N3O2S
Molecular Weight365.34 g/mol
Exact Mass365.04
IUPAC Name(4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)11-2-1-3-12(8-11)22(15(23)24)14-21-13(9-25-14)10-4-6-20-7-5-10/h1-9H,(H,23,24)
InChIKeyWGXHNGHFFXBDCE-UHFFFAOYSA-N
XLogP5.04
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluoro-5-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamic acid
CID 166666644
5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 157240234
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492
3-(2-bromoethyl)-1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 156518264
2-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]oxyethyl-trimethylazanium iodide
CID 162457284
3-[2-[methyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]amino]ethyl]-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 156518345
tert-butyl N-[4-(5-aminooxy-2-fluorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]carbamate
CID 160967673
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 160920630
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 24896119
[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate
CID 16524116
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7917606
1-[2-[methyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]amino]ethyl]-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156506658

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid (CID 154485820) is (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid is O=C(O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1.
What is the InChIKey of (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is WGXHNGHFFXBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2S/c17-16(18,19)11-2-1-3-12(8-11)22(15(23)24)14-21-13(9-25-14)10-4-6-20-7-5-10/h1-9H,(H,23,24).
What are the key properties of (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid?
(4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 365.34 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-yl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 154485820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).