3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

C14H9F3N4OS — CID 11348328

IUPAC3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
SMILESOc1cc(Nc2nccc(-c3cscn3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)8-3-9(5-10(22)4-8)20-13-18-2-1-11(21-13)12-6-23-7-19-12/h1-7,22H,(H,18,20,21)
InChIKeyWGPXOQDZICUESA-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.07
Rot. Bonds3

About 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (PubChem CID 11348328) has the molecular formula C14H9F3N4OS and a molecular weight of 338.31 g/mol. Its IUPAC name is 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
PubChem CID11348328
Molecular FormulaC14H9F3N4OS
Molecular Weight338.31 g/mol
Exact Mass338.04
IUPAC Name3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
SMILESOc1cc(Nc2nccc(-c3cscn3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)8-3-9(5-10(22)4-8)20-13-18-2-1-11(21-13)12-6-23-7-19-12/h1-7,22H,(H,18,20,21)
InChIKeyWGPXOQDZICUESA-UHFFFAOYSA-N
XLogP4.07
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino)-Phenol
CID 447959
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 22
CID 6539289
2-[(3-Hydroxyphenyl)amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile
CID 44253187
4-[2-(Pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol
CID 972705
4-[2-(Pyridin-2-ylamino)-1,3-thiazol-4-yl]phenol
CID 972900
2-(2-Pyrimidyl)-4-(2-hydroxyphenyl)thiazole
CID 86277538
3-Methyl-4-(4-pyridin-3-yl-thiazol-2-ylamino)-phenol
CID 973002
4-[2-(Pyrimidin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 751856
3-(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-ylamino)-phenol
CID 11289869
(2-(2-(3-Methoxy-5-(trifluoromethyl)phenylamino)pyrimidin-4-yl)thiazol-4-yl)methanol
CID 44589514
3-(4-(4-(Hydroxymethyl)thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluoromethyl)phenol
CID 44589515
N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine
CID 44589516

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (CID 11348328) is 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is Oc1cc(Nc2nccc(-c3cscn3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The InChIKey is WGPXOQDZICUESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4OS/c15-14(16,17)8-3-9(5-10(22)4-8)20-13-18-2-1-11(21-13)12-6-23-7-19-12/h1-7,22H,(H,18,20,21).
What are the key properties of 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol has a molecular weight of 338.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 11348328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).