2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole

C21H23N9S — CID 141056230

IUPAC2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole
SMILESc1cc(Cc2nn(CCc3nccs3)c(Cc3ncc[nH]3)c2CCc2ncc[nH]2)[nH]n1
InChIInChI=1S/C21H23N9S/c1(2-19-22-6-7-23-19)16-17(13-15-3-5-27-28-15)29-30(11-4-21-26-10-12-31-21)18(16)14-20-24-8-9-25-20/h3,5-10,12H,1-2,4,11,13-14H2,(H,22,23)(H,24,25)(H,27,28)
InChIKeyVKSFZQONOJOZBO-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.72
Rot. Bonds10

About 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole

2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 141056230) has the molecular formula C21H23N9S and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole
PubChem CID141056230
Molecular FormulaC21H23N9S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole
SMILESc1cc(Cc2nn(CCc3nccs3)c(Cc3ncc[nH]3)c2CCc2ncc[nH]2)[nH]n1
InChIInChI=1S/C21H23N9S/c1(2-19-22-6-7-23-19)16-17(13-15-3-5-27-28-15)29-30(11-4-21-26-10-12-31-21)18(16)14-20-24-8-9-25-20/h3,5-10,12H,1-2,4,11,13-14H2,(H,22,23)(H,24,25)(H,27,28)
InChIKeyVKSFZQONOJOZBO-UHFFFAOYSA-N
XLogP2.72
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 58094765
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-(1H-imidazol-5-yl)-2,5,8-trimethyl-8-(1H-pyrazol-5-yl)nonan-2-yl]-1,3-thiazole
CID 126641292
5-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole
CID 135761808
5-[3-(1H-imidazol-5-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole
CID 135761871
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
5-[5-methyl-5-[2-(3-propan-2-ylpyrazol-1-yl)-1H-imidazol-5-yl]hexan-2-yl]-1,3-thiazole
CID 138545682
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-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-yl]-1H-imidazole
CID 141055286
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
5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole
CID 141082068

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole (CID 141056230) is 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole is c1cc(Cc2nn(CCc3nccs3)c(Cc3ncc[nH]3)c2CCc2ncc[nH]2)[nH]n1.
What is the InChIKey of 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is VKSFZQONOJOZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9S/c1(2-19-22-6-7-23-19)16-17(13-15-3-5-27-28-15)29-30(11-4-21-26-10-12-31-21)18(16)14-20-24-8-9-25-20/h3,5-10,12H,1-2,4,11,13-14H2,(H,22,23)(H,24,25)(H,27,28).
What are the key properties of 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole?
2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 433.55 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 141056230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).