2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine

C40H29ClF6N12OS2 — CID 123317789

IUPAC2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Nc2ccccc2Cl)cc1Nc1ncsc1-c1ncccn1
InChIInChI=1S/C21H17F3N6OS.C19H12ClF3N6S/c1-12-4-5-16(31-2)15(8-12)29-17-9-14(13(10-27-17)21(22,23)24)30-20-18(32-11-28-20)19-25-6-3-7-26-19;20-12-4-1-2-5-13(12)28-15-8-14(11(9-26-15)19(21,22)23)29-18-16(30-10-27-18)17-24-6-3-7-25-17/h3-11H,1-2H3,(H2,27,29,30);1-10H,(H2,26,28,29)
InChIKeyZXEGNCDYGWKBPX-UHFFFAOYSA-N
MW907.33 g/mol
LogP11.97
Rot. Bonds11

About 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine

2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 123317789) has the molecular formula C40H29ClF6N12OS2 and a molecular weight of 907.33 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID123317789
Molecular FormulaC40H29ClF6N12OS2
Molecular Weight907.33 g/mol
Exact Mass906.16
IUPAC Name2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Nc2ccccc2Cl)cc1Nc1ncsc1-c1ncccn1
InChIInChI=1S/C21H17F3N6OS.C19H12ClF3N6S/c1-12-4-5-16(31-2)15(8-12)29-17-9-14(13(10-27-17)21(22,23)24)30-20-18(32-11-28-20)19-25-6-3-7-26-19;20-12-4-1-2-5-13(12)28-15-8-14(11(9-26-15)19(21,22)23)29-18-16(30-10-27-18)17-24-6-3-7-25-17/h3-11H,1-2H3,(H2,27,29,30);1-10H,(H2,26,28,29)
InChIKeyZXEGNCDYGWKBPX-UHFFFAOYSA-N
XLogP11.97
TPSA160.47 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.33
LogP ≤ 511.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine with MolForge

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Related Compounds

2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 58155025
4-N-benzyl-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-[(2-methylsulfonylphenyl)methyl]pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 158139418
7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 159442135
N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 160047162
N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine;5-ethylsulfonyl-2-methoxyaniline;bis(2-N-(5-ethylsulfonyl-2-methoxyphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine)
CID 160308010
3-chloro-11-(2,2,2-trifluoroethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene;N-(6-methoxy-1H-isoindol-5-yl)-11-(2,2,2-trifluoroethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 160696328
4-[3-[(2-amino-5-chloropyrimidin-4-yl)amino]-4-methoxyphenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol;5-chloro-4-N-(5-iodo-2-methoxyphenyl)pyrimidine-2,4-diamine;2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 157580181

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine (CID 123317789) is 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine is COc1ccc(C)cc1Nc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Nc2ccccc2Cl)cc1Nc1ncsc1-c1ncccn1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is ZXEGNCDYGWKBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6OS.C19H12ClF3N6S/c1-12-4-5-16(31-2)15(8-12)29-17-9-14(13(10-27-17)21(22,23)24)30-20-18(32-11-28-20)19-25-6-3-7-26-19;20-12-4-1-2-5-13(12)28-15-8-14(11(9-26-15)19(21,22)23)29-18-16(30-10-27-18)17-24-6-3-7-25-17/h3-11H,1-2H3,(H2,27,29,30);1-10H,(H2,26,28,29).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine?
2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 907.33 g/mol, XLogP of 11.97, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine;2-N-(2-methoxy-5-methylphenyl)-4-N-(5-pyrimidin-2-yl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 123317789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).