methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane

C60H63BrF6N10O4S2Sn — CID 167634791

IUPACmethyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncccn1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3ncccn3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1
InChIInChI=1S/C24H18F3N5O2S.C20H15BrF3N3O2S.C4H3N2.3C4H9.Sn/c1-34-22(33)17-11-16(24(25,26)27)12-30-21(17)32-23-31-18(19(35-23)14-5-6-14)13-3-7-15(8-4-13)20-28-9-2-10-29-20;1-29-18(28)14-8-12(20(22,23)24)9-25-17(14)27-19-26-15(16(30-19)11-2-3-11)10-4-6-13(21)7-5-10;1-2-5-4-6-3-1;3*1-3-4-2;/h2-4,7-12,14H,5-6H2,1H3,(H,30,31,32);4-9,11H,2-3H2,1H3,(H,25,26,27);1-3H;3*1,3-4H2,2H3;
InChIKeyOHXWPBYGWMDZEZ-UHFFFAOYSA-N
MW1364.97 g/mol
LogP17.02
Rot. Bonds21

About methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane

methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane (PubChem CID 167634791) has the molecular formula C60H63BrF6N10O4S2Sn and a molecular weight of 1364.97 g/mol. Its IUPAC name is methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane.

Molecular Properties

Compound Namemethyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane
PubChem CID167634791
Molecular FormulaC60H63BrF6N10O4S2Sn
Molecular Weight1364.97 g/mol
Exact Mass1364.26
IUPAC Namemethyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncccn1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3ncccn3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1
InChIInChI=1S/C24H18F3N5O2S.C20H15BrF3N3O2S.C4H3N2.3C4H9.Sn/c1-34-22(33)17-11-16(24(25,26)27)12-30-21(17)32-23-31-18(19(35-23)14-5-6-14)13-3-7-15(8-4-13)20-28-9-2-10-29-20;1-29-18(28)14-8-12(20(22,23)24)9-25-17(14)27-19-26-15(16(30-19)11-2-3-11)10-4-6-13(21)7-5-10;1-2-5-4-6-3-1;3*1-3-4-2;/h2-4,7-12,14H,5-6H2,1H3,(H,30,31,32);4-9,11H,2-3H2,1H3,(H,25,26,27);1-3H;3*1,3-4H2,2H3;
InChIKeyOHXWPBYGWMDZEZ-UHFFFAOYSA-N
XLogP17.02
TPSA179.78 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.97
LogP ≤ 517.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane with MolForge

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Related Compounds

Methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156849013
Ethane;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156849109
4-(4-Bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 167556945
4-(4-Bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[4-(4-bromophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 167564633
2-Bromo-5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazole;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 167569327
Methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane
CID 167593848
Lithium;2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane;hydroxide
CID 167610151
CID 167615834
CID 167615834
Lithium;2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(1,3-thiazol-2-yl)stannane;hydroxide
CID 167679982
Lithium;2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;hydroxide
CID 167691303

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane?
The IUPAC name of methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane (CID 167634791) is methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane.
What is the SMILES notation for methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane?
The canonical SMILES for methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ncccn1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3ncccn3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.
What is the InChIKey of methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane?
The InChIKey is OHXWPBYGWMDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2S.C20H15BrF3N3O2S.C4H3N2.3C4H9.Sn/c1-34-22(33)17-11-16(24(25,26)27)12-30-21(17)32-23-31-18(19(35-23)14-5-6-14)13-3-7-15(8-4-13)20-28-9-2-10-29-20;1-29-18(28)14-8-12(20(22,23)24)9-25-17(14)27-19-26-15(16(30-19)11-2-3-11)10-4-6-13(21)7-5-10;1-2-5-4-6-3-1;3*1-3-4-2;/h2-4,7-12,14H,5-6H2,1H3,(H,30,31,32);4-9,11H,2-3H2,1H3,(H,25,26,27);1-3H;3*1,3-4H2,2H3;.
What are the key properties of methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane?
methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane has a molecular weight of 1364.97 g/mol, XLogP of 17.02, 21 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;tributyl(pyrimidin-2-yl)stannane is sourced from PubChem (CID 167634791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).