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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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).