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

C13H11N11S — CID 141121730

IUPAC2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole
SMILESc1c[nH]c(N2N=C(c3cn[nH]n3)N(c3ncc[nH]3)N2c2nccs2)c1
InChIInChI=1S/C13H11N11S/c1-2-10(14-3-1)23-20-11(9-8-18-21-19-9)22(12-15-4-5-16-12)24(23)13-17-6-7-25-13/h1-8,14H,(H,15,16)(H,18,19,21)
InChIKeyNJIOCUUXCJLVHO-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.34
Rot. Bonds4

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

2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole (PubChem CID 141121730) has the molecular formula C13H11N11S and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole
PubChem CID141121730
Molecular FormulaC13H11N11S
Molecular Weight353.38 g/mol
Exact Mass353.09
IUPAC Name2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole
SMILESc1c[nH]c(N2N=C(c3cn[nH]n3)N(c3ncc[nH]3)N2c2nccs2)c1
InChIInChI=1S/C13H11N11S/c1-2-10(14-3-1)23-20-11(9-8-18-21-19-9)22(12-15-4-5-16-12)24(23)13-17-6-7-25-13/h1-8,14H,(H,15,16)(H,18,19,21)
InChIKeyNJIOCUUXCJLVHO-UHFFFAOYSA-N
XLogP1.34
TPSA121.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole
CID 141114943
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-[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
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
1H-imidazole;1H-pyrazole;1H-pyrrole;thiadiazole;1H-1,2,4-triazole;2H-triazole
CID 161184803
N-methyl-1H-imidazol-2-amine;N-methyl-1H-imidazol-5-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-1H-pyrrol-2-amine;N-methyl-1H-pyrrol-3-amine;N-methyl-2H-pyrrol-4-amine;N-methyl-1,2,4-thiadiazol-5-amine;N-methyl-1,3,4-thiadiazol-2-amine;N-methyl-1,3-thiazol-2-amine;N-methyl-1,3-thiazol-5-amine
CID 161841129

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole (CID 141121730) is 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole is c1c[nH]c(N2N=C(c3cn[nH]n3)N(c3ncc[nH]3)N2c2nccs2)c1.
What is the InChIKey of 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole?
The InChIKey is NJIOCUUXCJLVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N11S/c1-2-10(14-3-1)23-20-11(9-8-18-21-19-9)22(12-15-4-5-16-12)24(23)13-17-6-7-25-13/h1-8,14H,(H,15,16)(H,18,19,21).
What are the key properties of 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole?
2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole has a molecular weight of 353.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 141121730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).