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

C16H15N13S — CID 141121729

IUPAC2-[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
SMILESc1c[nH]c(N2C(c3cn[nH]n3)N(c3ccn[nH]3)N(c3ncc[nH]3)N2c2nccs2)c1
InChIInChI=1S/C16H15N13S/c1-2-12(17-4-1)26-14(11-10-22-25-23-11)27(13-3-5-21-24-13)28(15-18-6-7-19-15)29(26)16-20-8-9-30-16/h1-10,14,17H,(H,18,19)(H,21,24)(H,22,23,25)
InChIKeySUDFEYVPAKOHLE-UHFFFAOYSA-N
MW421.45 g/mol
LogP1.82
Rot. Bonds5

About 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

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 (PubChem CID 141121729) has the molecular formula C16H15N13S and a molecular weight of 421.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141121729
Molecular FormulaC16H15N13S
Molecular Weight421.45 g/mol
Exact Mass421.13
IUPAC Name2-[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
SMILESc1c[nH]c(N2C(c3cn[nH]n3)N(c3ccn[nH]3)N(c3ncc[nH]3)N2c2nccs2)c1
InChIInChI=1S/C16H15N13S/c1-2-12(17-4-1)26-14(11-10-22-25-23-11)27(13-3-5-21-24-13)28(15-18-6-7-19-15)29(26)16-20-8-9-30-16/h1-10,14,17H,(H,18,19)(H,21,24)(H,22,23,25)
InChIKeySUDFEYVPAKOHLE-UHFFFAOYSA-N
XLogP1.82
TPSA140.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 68840184
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-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole
CID 140994222
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
2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole
CID 141121730
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
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
4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)triazol-1-yl]oxadiazole
CID 141328714
4-[5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)triazolidin-2-yl]thiadiazole
CID 141328720
1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole
CID 141442220
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157074534
1H-imidazole;1H-pyrazole;1H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157730955

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1c[nH]c(N2C(c3cn[nH]n3)N(c3ccn[nH]3)N(c3ncc[nH]3)N2c2nccs2)c1.
What is the InChIKey of 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?
The InChIKey is SUDFEYVPAKOHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N13S/c1-2-12(17-4-1)26-14(11-10-22-25-23-11)27(13-3-5-21-24-13)28(15-18-6-7-19-15)29(26)16-20-8-9-30-16/h1-10,14,17H,(H,18,19)(H,21,24)(H,22,23,25).
What are the key properties of 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?
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 has a molecular weight of 421.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141121729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).