2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole

C34H38BrF3N14S3 — CID 159140144

IUPAC2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
SMILESBrc1nnc(-c2cccnc2)s1.C.C.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1.c1nnc(C2CCCNC2)s1
InChIInChI=1S/C18H15F3N8S.C7H4BrN3S.C7H11N3S.2CH4/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17;8-7-11-10-6(12-7)5-2-1-3-9-4-5;1-2-6(4-8-3-1)7-10-9-5-11-7;;/h3-4,6-7,9-11H,1-2,5,8H2;1-4H;5-6,8H,1-4H2;2*1H4
InChIKeyKHZNAMXXZYCWIF-UHFFFAOYSA-N
MW875.87 g/mol
LogP8.08
Rot. Bonds5

About 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole

2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole (PubChem CID 159140144) has the molecular formula C34H38BrF3N14S3 and a molecular weight of 875.87 g/mol. Its IUPAC name is 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
PubChem CID159140144
Molecular FormulaC34H38BrF3N14S3
Molecular Weight875.87 g/mol
Exact Mass874.17
IUPAC Name2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
SMILESBrc1nnc(-c2cccnc2)s1.C.C.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1.c1nnc(C2CCCNC2)s1
InChIInChI=1S/C18H15F3N8S.C7H4BrN3S.C7H11N3S.2CH4/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17;8-7-11-10-6(12-7)5-2-1-3-9-4-5;1-2-6(4-8-3-1)7-10-9-5-11-7;;/h3-4,6-7,9-11H,1-2,5,8H2;1-4H;5-6,8H,1-4H2;2*1H4
InChIKeyKHZNAMXXZYCWIF-UHFFFAOYSA-N
XLogP8.08
TPSA161.47 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.87
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503699
N-[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-6-[6-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-5-methylpyrimidin-2-yl]-1,3,4-thiadiazol-2-amine
CID 155376310
bis(6-bromo-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine);bis(6-bromo-3-[4-[4-ethyl-2-methyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine);dimethyl-oxo-[5-(2H-pyrrol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-lambda6-sulfane
CID 158073936
3-(2-chloropyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidine;3-[2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159702193
3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[2,5-dimethyl-3-[2-(trifluoromethyl)-3H-pyrrol-5-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-methyl-5-(3-methylimidazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-methyl-6-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
CID 160134299
tris([1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methyl-imino-methyl-oxo-lambda6-sulfane);bis(3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine)
CID 161338536
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 162071029
2-Bromo-5-pyridin-3-yl-1,3,4-thiadiazole;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole
CID 167576890
4-[[1-[[4-[5-[1-[[6-Amino-5-[3-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-5-[1-(trifluoromethyl)pyrazol-4-yl]imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]methyl]imidazol-4-yl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177316882
12-Bromo-8,10-dimethyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(3-methyl-4-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(6-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 90047323
3-[(2,2-dimethylpiperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;6-methyl-N-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-piperidin-1-ylethyl)-1,2-thiazol-5-amine
CID 123144823
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine;9-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]-2-pyridin-3-ylpurin-6-amine
CID 139385809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole (CID 159140144) is 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole is Brc1nnc(-c2cccnc2)s1.C.C.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5nncs5)C4)n3)cnc2cn1.c1nnc(C2CCCNC2)s1.
What is the InChIKey of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
The InChIKey is KHZNAMXXZYCWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N8S.C7H4BrN3S.C7H11N3S.2CH4/c19-18(20,21)13-9-29-12(6-24-15(29)7-23-13)16-22-4-3-14(26-16)28-5-1-2-11(8-28)17-27-25-10-30-17;8-7-11-10-6(12-7)5-2-1-3-9-4-5;1-2-6(4-8-3-1)7-10-9-5-11-7;;/h3-4,6-7,9-11H,1-2,5,8H2;1-4H;5-6,8H,1-4H2;2*1H4.
What are the key properties of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole?
2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole has a molecular weight of 875.87 g/mol, XLogP of 8.08, 5 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole;methane;2-piperidin-3-yl-1,3,4-thiadiazole;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 159140144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).