1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole

C24H18N12S2 — CID 141113956

IUPAC1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole
SMILESc1ccc(S2(c3ncccn3)(c3ncc[nH]3)(c3nccs3)N=NC(c3ccc[nH]3)=C2c2ccnnn2)nc1
InChIInChI=1S/C24H18N12S2/c1-2-8-26-19(6-1)38(23-29-13-14-30-23,24-31-15-16-37-24,22-27-10-4-11-28-22)21(18-7-12-32-35-33-18)20(34-36-38)17-5-3-9-25-17/h1-16,25H,(H,29,30)
InChIKeyJHVHWLXTTCAIBL-UHFFFAOYSA-N
MW538.63 g/mol
LogP4.88
Rot. Bonds6

About 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole

1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole (PubChem CID 141113956) has the molecular formula C24H18N12S2 and a molecular weight of 538.63 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole
PubChem CID141113956
Molecular FormulaC24H18N12S2
Molecular Weight538.63 g/mol
Exact Mass538.12
IUPAC Name1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole
SMILESc1ccc(S2(c3ncccn3)(c3ncc[nH]3)(c3nccs3)N=NC(c3ccc[nH]3)=C2c2ccnnn2)nc1
InChIInChI=1S/C24H18N12S2/c1-2-8-26-19(6-1)38(23-29-13-14-30-23,24-31-15-16-37-24,22-27-10-4-11-28-22)21(18-7-12-32-35-33-18)20(34-36-38)17-5-3-9-25-17/h1-16,25H,(H,29,30)
InChIKeyJHVHWLXTTCAIBL-UHFFFAOYSA-N
XLogP4.88
TPSA159.42 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.63
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole with MolForge

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Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 70982376
N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 70984132
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-imidazol-2-yl]pyridin-2-amine
CID 141450023
N-[1-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]-3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 15037428
5-(4-Pyridazin-3-ylpyrimidin-2-yl)-4-[2-[3-thiophen-2-yl-5-(1,3,5-triazin-2-yl)pyrazin-2-yl]-1,3-thiazol-4-yl]thiadiazole
CID 54304309
5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 59295303
5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 59295346
5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 59295356
5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[(1-thiophen-2-ylethylamino)methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 59295362
N,N-dimethyl-4-[2-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 68985966
N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 68989518
N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 77962372

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole?
The IUPAC name of 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole (CID 141113956) is 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole?
The canonical SMILES for 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole is c1ccc(S2(c3ncccn3)(c3ncc[nH]3)(c3nccs3)N=NC(c3ccc[nH]3)=C2c2ccnnn2)nc1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole?
The InChIKey is JHVHWLXTTCAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N12S2/c1-2-8-26-19(6-1)38(23-29-13-14-30-23,24-31-15-16-37-24,22-27-10-4-11-28-22)21(18-7-12-32-35-33-18)20(34-36-38)17-5-3-9-25-17/h1-16,25H,(H,29,30).
What are the key properties of 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole?
1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole has a molecular weight of 538.63 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)thiadiazole is sourced from PubChem (CID 141113956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).