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

C22H18N16S2 — CID 141303191

IUPAC2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole
SMILESc1c[nH]c(C2(c3n[nH]nc3-c3ccn[nH]3)N(c3ccsn3)N(c3nccs3)N(c3ccn[nH]3)N2c2ncc[nH]2)c1
InChIInChI=1S/C22H18N16S2/c1-2-15(23-6-1)22(19-18(31-34-32-19)14-3-7-27-29-14)35(17-5-12-40-33-17)38(21-26-11-13-39-21)37(16-4-8-28-30-16)36(22)20-24-9-10-25-20/h1-13,23H,(H,24,25)(H,27,29)(H,28,30)(H,31,32,34)
InChIKeyMCWOGGRJIJZEJW-UHFFFAOYSA-N
MW570.63 g/mol
LogP2.87
Rot. Bonds7

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

2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole (PubChem CID 141303191) has the molecular formula C22H18N16S2 and a molecular weight of 570.63 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole
PubChem CID141303191
Molecular FormulaC22H18N16S2
Molecular Weight570.63 g/mol
Exact Mass570.13
IUPAC Name2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole
SMILESc1c[nH]c(C2(c3n[nH]nc3-c3ccn[nH]3)N(c3ccsn3)N(c3nccs3)N(c3ccn[nH]3)N2c2ncc[nH]2)c1
InChIInChI=1S/C22H18N16S2/c1-2-15(23-6-1)22(19-18(31-34-32-19)14-3-7-27-29-14)35(17-5-12-40-33-17)38(21-26-11-13-39-21)37(16-4-8-28-30-16)36(22)20-24-9-10-25-20/h1-13,23H,(H,24,25)(H,27,29)(H,28,30)(H,31,32,34)
InChIKeyMCWOGGRJIJZEJW-UHFFFAOYSA-N
XLogP2.87
TPSA182.14 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.63
LogP ≤ 52.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-3-yl)-2-thienyl]-1H-1,2,3-triazole
CID 72900289
2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22031103
7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 58094765
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 69063831
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 69068468
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-(1H-imidazol-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 69081605
7-[4-(1H-imidazol-2-yl)-5-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 118258075
4-[5-(4-pyridin-2-yl-1H-imidazol-2-yl)-1H-triazol-4-yl]-3-[5-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-1,2-thiazole
CID 136161780
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
3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole
CID 141021041

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole (CID 141303191) is 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole is c1c[nH]c(C2(c3n[nH]nc3-c3ccn[nH]3)N(c3ccsn3)N(c3nccs3)N(c3ccn[nH]3)N2c2ncc[nH]2)c1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole?
The InChIKey is MCWOGGRJIJZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N16S2/c1-2-15(23-6-1)22(19-18(31-34-32-19)14-3-7-27-29-14)35(17-5-12-40-33-17)38(21-26-11-13-39-21)37(16-4-8-28-30-16)36(22)20-24-9-10-25-20/h1-13,23H,(H,24,25)(H,27,29)(H,28,30)(H,31,32,34).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole?
2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole has a molecular weight of 570.63 g/mol, XLogP of 2.87, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 141303191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).