2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole

C18H14N10S2 — CID 141121534

IUPAC2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole
SMILESc1c[nH]c(N2C(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3ccsn3)N2c2nccs2)c1
InChIInChI=1S/C18H14N10S2/c1-2-13(19-5-1)26-15(12-3-6-23-24-12)16(17-20-7-8-21-17)27(14-4-10-30-25-14)28(26)18-22-9-11-29-18/h1-11,19H,(H,20,21)(H,23,24)
InChIKeyYDZIVKVOELUFOU-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.56
Rot. Bonds5

About 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole

2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole (PubChem CID 141121534) has the molecular formula C18H14N10S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole
PubChem CID141121534
Molecular FormulaC18H14N10S2
Molecular Weight434.51 g/mol
Exact Mass434.08
IUPAC Name2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole
SMILESc1c[nH]c(N2C(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3ccsn3)N2c2nccs2)c1
InChIInChI=1S/C18H14N10S2/c1-2-13(19-5-1)26-15(12-3-6-23-24-12)16(17-20-7-8-21-17)27(14-4-10-30-25-14)28(26)18-22-9-11-29-18/h1-11,19H,(H,20,21)(H,23,24)
InChIKeyYDZIVKVOELUFOU-UHFFFAOYSA-N
XLogP3.56
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole with MolForge

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Related Compounds

3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25094325
2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136210790
4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole
CID 140993054
2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-1-yl]-1,3-thiazole
CID 141013787
2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole
CID 141064117
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazolidin-2-yl]-1,3-thiazole
CID 141121729
2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole
CID 141121730
2-[1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-benzothiazole
CID 141123569
2-[2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-5-(triazin-4-yl)-1H-triazol-3-yl]-1H-thieno[2,3-d]imidazole
CID 141137508
4-[1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]thiadiazole
CID 141191891
2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 141214750
1-(1H-imidazol-2-yl)-1,4-bis(1H-pyrazol-5-yl)-2,5-bis(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-3H-thiadiazole
CID 141294157

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole (CID 141121534) is 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole is c1c[nH]c(N2C(c3ccn[nH]3)=C(c3ncc[nH]3)N(c3ccsn3)N2c2nccs2)c1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole?
The InChIKey is YDZIVKVOELUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N10S2/c1-2-13(19-5-1)26-15(12-3-6-23-24-12)16(17-20-7-8-21-17)27(14-4-10-30-25-14)28(26)18-22-9-11-29-18/h1-11,19H,(H,20,21)(H,23,24).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole?
2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole has a molecular weight of 434.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 141121534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).