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1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole

C24H19N13OS2 — CID 141220278

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1c[nH]c(S2(c3ncc[nH]3)(c3ccco3)(c3cccs3)C(c3nn[nH]n3)=NC(c3cn[nH]n3)=C2c2ccn[nH]2)c1
InChIInChI=1S/C24H19N13OS2/c1-4-17(25-8-1)40(18-5-2-12-38-18,19-6-3-13-39-19,24-26-10-11-27-24)21(15-7-9-28-31-15)20(16-14-29-35-32-16)30-23(40)22-33-36-37-34-22/h1-14,25H,(H,26,27)(H,28,31)(H,29,32,35)(H,33,34,36,37)
InChIKeyRXEQXNLQHNNTFZ-UHFFFAOYSA-N
MW569.64 g/mol
LogP4.15
Rot. Bonds7

About 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole

1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 141220278) has the molecular formula C24H19N13OS2 and a molecular weight of 569.64 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID141220278
Molecular FormulaC24H19N13OS2
Molecular Weight569.64 g/mol
Exact Mass569.13
IUPAC Name1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1c[nH]c(S2(c3ncc[nH]3)(c3ccco3)(c3cccs3)C(c3nn[nH]n3)=NC(c3cn[nH]n3)=C2c2ccn[nH]2)c1
InChIInChI=1S/C24H19N13OS2/c1-4-17(25-8-1)40(18-5-2-12-38-18,19-6-3-13-39-19,24-26-10-11-27-24)21(15-7-9-28-31-15)20(16-14-29-35-32-16)30-23(40)22-33-36-37-34-22/h1-14,25H,(H,26,27)(H,28,31)(H,29,32,35)(H,33,34,36,37)
InChIKeyRXEQXNLQHNNTFZ-UHFFFAOYSA-N
XLogP4.15
TPSA194.68 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.64
LogP ≤ 54.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole (CID 141220278) is 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole is c1c[nH]c(S2(c3ncc[nH]3)(c3ccco3)(c3cccs3)C(c3nn[nH]n3)=NC(c3cn[nH]n3)=C2c2ccn[nH]2)c1.
What is the InChIKey of 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is RXEQXNLQHNNTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N13OS2/c1-4-17(25-8-1)40(18-5-2-12-38-18,19-6-3-13-39-19,24-26-10-11-27-24)21(15-7-9-28-31-15)20(16-14-29-35-32-16)30-23(40)22-33-36-37-34-22/h1-14,25H,(H,26,27)(H,28,31)(H,29,32,35)(H,33,34,36,37).
What are the key properties of 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole?
1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 569.64 g/mol, XLogP of 4.15, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 141220278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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