4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine

C21H15F3N4OS — CID 10113384

IUPAC4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C21H15F3N4OS/c22-21(23,24)15-4-1-3-14(11-15)13-29-17-6-2-5-16(12-17)27-20-26-8-7-18(28-20)19-25-9-10-30-19/h1-12H,13H2,(H,26,27,28)
InChIKeyTZMSWNPIPCLMJB-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.94
Rot. Bonds6

About 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine

4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine (PubChem CID 10113384) has the molecular formula C21H15F3N4OS and a molecular weight of 428.44 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine
PubChem CID10113384
Molecular FormulaC21H15F3N4OS
Molecular Weight428.44 g/mol
Exact Mass428.09
IUPAC Name4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1
InChIInChI=1S/C21H15F3N4OS/c22-21(23,24)15-4-1-3-14(11-15)13-29-17-6-2-5-16(12-17)27-20-26-8-7-18(28-20)19-25-9-10-30-19/h1-12H,13H2,(H,26,27,28)
InChIKeyTZMSWNPIPCLMJB-UHFFFAOYSA-N
XLogP5.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(pyridin-3-yloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9902848
N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9925060
N-(4-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9968856
N-(3-phenoxyphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 10291291
(2-(2-(3-Methoxy-5-(trifluoromethyl)phenylamino)pyrimidin-4-yl)thiazol-4-yl)methanol
CID 44589514
N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine
CID 44589516
1-[5-[2-[[7-[3-(Dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 59268695
4-N-[[4-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 118733468
1-(3-(Cyclopenta-1,3-dienyl)benzyl)-3,5-diethylbenzene
CID 25169255
3-(3-(4-(Thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluoromethyl)phenoxy)propan-1-ol
CID 25169256
N-[(2-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522329
N-(4-(2-aminobenzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 44565580

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine (CID 10113384) is 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine is FC(F)(F)c1cccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine?
The InChIKey is TZMSWNPIPCLMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4OS/c22-21(23,24)15-4-1-3-14(11-15)13-29-17-6-2-5-16(12-17)27-20-26-8-7-18(28-20)19-25-9-10-30-19/h1-12H,13H2,(H,26,27,28).
What are the key properties of 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine?
4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine has a molecular weight of 428.44 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-N-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 10113384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).