N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C26H24F3N7OS — CID 145083791

IUPACN-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCN1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCC1C2.Cc1ncc(-c2ccnc(NC=O)c2)s1
InChIInChI=1S/C16H15F3N4.C10H9N3OS/c1-22-11-5-7-23(9-11)13-3-2-12(21-15(13)22)10-4-6-20-14(8-10)16(17,18)19;1-7-12-5-9(15-7)8-2-3-11-10(4-8)13-6-14/h2-4,6,8,11H,5,7,9H2,1H3;2-6H,1H3,(H,11,13,14)
InChIKeyIHCNSDGFKBAFSM-UHFFFAOYSA-N
MW539.59 g/mol
LogP5.27
Rot. Bonds4

About N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 145083791) has the molecular formula C26H24F3N7OS and a molecular weight of 539.59 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID145083791
Molecular FormulaC26H24F3N7OS
Molecular Weight539.59 g/mol
Exact Mass539.17
IUPAC NameN-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCN1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCC1C2.Cc1ncc(-c2ccnc(NC=O)c2)s1
InChIInChI=1S/C16H15F3N4.C10H9N3OS/c1-22-11-5-7-23(9-11)13-3-2-12(21-15(13)22)10-4-6-20-14(8-10)16(17,18)19;1-7-12-5-9(15-7)8-2-3-11-10(4-8)13-6-14/h2-4,6,8,11H,5,7,9H2,1H3;2-6H,1H3,(H,11,13,14)
InChIKeyIHCNSDGFKBAFSM-UHFFFAOYSA-N
XLogP5.27
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene with MolForge

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Related Compounds

N-((6S,9R)-6-(2,3-difluorophenyl)-3-(thiazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11721278
N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide
CID 45482753
1-Ethyl-3-[5-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,5-naphthyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 145978950
1-[5-[2-(2,5-Diazabicyclo[2.2.2]octan-2-yl)-1,5-naphthyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
CID 145981151
1-Ethyl-3-[5-[2-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-1,5-naphthyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 145988660
1-[5-[2-(4-Aminopiperidin-1-yl)-1,5-naphthyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
CID 145989227
1-ethyl-3-[5-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-5-(2H-tetrazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 145989525
1-[5-[2-(3,9-Diazabicyclo[3.3.1]nonan-3-yl)-1,5-naphthyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
CID 145991530
1-Ethyl-3-[5-(1,5-naphthyridin-3-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 145992894
1-Ethyl-3-[5-[2-(4-methylpiperazin-1-yl)-1,5-naphthyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 145993553
1-[5-[2-[(1S,5R)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-1,5-naphthyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
CID 145993792
4-(1,8-naphthyridin-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 132310853

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 145083791) is N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is CN1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCC1C2.Cc1ncc(-c2ccnc(NC=O)c2)s1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is IHCNSDGFKBAFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4.C10H9N3OS/c1-22-11-5-7-23(9-11)13-3-2-12(21-15(13)22)10-4-6-20-14(8-10)16(17,18)19;1-7-12-5-9(15-7)8-2-3-11-10(4-8)13-6-14/h2-4,6,8,11H,5,7,9H2,1H3;2-6H,1H3,(H,11,13,14).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 539.59 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]formamide;8-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 145083791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).