2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole

C21H12F3N5S — CID 123581762

IUPAC2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole
SMILESFC(F)(F)C1C=C1c1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1
InChIInChI=1S/C21H12F3N5S/c22-21(23,24)14-10-13(14)17-18(30-20(29-17)12-4-2-7-25-11-12)15-5-1-6-16(28-15)19-26-8-3-9-27-19/h1-11,14H
InChIKeyWCOCMDUOSWABEK-UHFFFAOYSA-N
MW423.42 g/mol
LogP5.30
Rot. Bonds4

About 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole

2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole (PubChem CID 123581762) has the molecular formula C21H12F3N5S and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole
PubChem CID123581762
Molecular FormulaC21H12F3N5S
Molecular Weight423.42 g/mol
Exact Mass423.08
IUPAC Name2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole
SMILESFC(F)(F)C1C=C1c1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1
InChIInChI=1S/C21H12F3N5S/c22-21(23,24)14-10-13(14)17-18(30-20(29-17)12-4-2-7-25-11-12)15-5-1-6-16(28-15)19-26-8-3-9-27-19/h1-11,14H
InChIKeyWCOCMDUOSWABEK-UHFFFAOYSA-N
XLogP5.30
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ulecaciclib
CID 126535127
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 145979645
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991173
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991893
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 155546230
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
2-(Pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)pyrimidine
CID 11256060
2-(Pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)pyrimidine
CID 11450419
N-(5-(trifluoromethyl)pyridin-2-yl)-7-(5-(trifluoromethyl)thiazol-4-yl)-1,8-naphthyridin-4-amine
CID 11510499
5-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45267044
6-Benzyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-ylamine
CID 45274324

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole?
The IUPAC name of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole (CID 123581762) is 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole?
The canonical SMILES for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole is FC(F)(F)C1C=C1c1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1.
What is the InChIKey of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole?
The InChIKey is WCOCMDUOSWABEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N5S/c22-21(23,24)14-10-13(14)17-18(30-20(29-17)12-4-2-7-25-11-12)15-5-1-6-16(28-15)19-26-8-3-9-27-19/h1-11,14H.
What are the key properties of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole?
2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole has a molecular weight of 423.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-4-[3-(trifluoromethyl)cyclopropen-1-yl]-1,3-thiazole is sourced from PubChem (CID 123581762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).