4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole

C14H12F3N5S — CID 91146345

IUPAC4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCC(C)c1csc(-c2ccnc(-n3ccc(C(F)(F)F)n3)n2)n1
InChIInChI=1S/C14H12F3N5S/c1-8(2)10-7-23-12(19-10)9-3-5-18-13(20-9)22-6-4-11(21-22)14(15,16)17/h3-8H,1-2H3
InChIKeyRMYCNUDBLGVRTM-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.93
Rot. Bonds3

About 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole

4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 91146345) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID91146345
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC Name4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCC(C)c1csc(-c2ccnc(-n3ccc(C(F)(F)F)n3)n2)n1
InChIInChI=1S/C14H12F3N5S/c1-8(2)10-7-23-12(19-10)9-3-5-18-13(20-9)22-6-4-11(21-22)14(15,16)17/h3-8H,1-2H3
InChIKeyRMYCNUDBLGVRTM-UHFFFAOYSA-N
XLogP3.93
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-Methyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72880410
2-[2-Butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300265
2-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 1482186
2-[2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823397
2-Methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
CID 45867204
2-ethyl-4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56872847
N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-6-propan-2-ylpyrimidin-4-amine
CID 136559645
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 164636230
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-[(5-methyl-1,3,4-thiadiazole-2-yl)thio]-6-methylpyrimidine
CID 11394228
4-Methyl-6-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 21030357
5-Methyl-4-methylthio-2-[3-(trifluoromethyl)-1h-pyrazol-1-yl]pyrimidine
CID 21267750
N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine
CID 53327922

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole (CID 91146345) is 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole is CC(C)c1csc(-c2ccnc(-n3ccc(C(F)(F)F)n3)n2)n1.
What is the InChIKey of 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is RMYCNUDBLGVRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5S/c1-8(2)10-7-23-12(19-10)9-3-5-18-13(20-9)22-6-4-11(21-22)14(15,16)17/h3-8H,1-2H3.
What are the key properties of 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole?
4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 339.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 91146345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).