[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol

C16H13F3N4O2S — CID 44589514

IUPAC[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol
SMILESCOc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O2S/c1-25-12-5-9(16(17,18)19)4-10(6-12)22-15-20-3-2-13(23-15)14-21-11(7-24)8-26-14/h2-6,8,24H,7H2,1H3,(H,20,22,23)
InChIKeyXOXJNDPEHAKNBZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.86
Rot. Bonds5

About [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol

[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 44589514) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol
PubChem CID44589514
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol
SMILESCOc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O2S/c1-25-12-5-9(16(17,18)19)4-10(6-12)22-15-20-3-2-13(23-15)14-21-11(7-24)8-26-14/h2-6,8,24H,7H2,1H3,(H,20,22,23)
InChIKeyXOXJNDPEHAKNBZ-UHFFFAOYSA-N
XLogP3.86
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9925060
1-(3-Methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
CID 24824694
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
3-(3-(4-(Thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluoromethyl)phenoxy)propan-1-ol
CID 25169256
N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 44590149
3-(4-(Thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluoromethyl)phenol
CID 44590150
(3-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 972986
4-Hydroxy-4-[5-[3-methoxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 86302679
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49791121
N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine
CID 14347147
(4-Fluoro-3-methoxyphenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
CID 49786368

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol (CID 44589514) is [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol is COc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is XOXJNDPEHAKNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-25-12-5-9(16(17,18)19)4-10(6-12)22-15-20-3-2-13(23-15)14-21-11(7-24)8-26-14/h2-6,8,24H,7H2,1H3,(H,20,22,23).
What are the key properties of [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?
[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 382.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 44589514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).