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

C7H5N7S — CID 173289620

IUPAC2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESc1csc(-c2[nH]cnc2-c2nn[nH]n2)n1
InChIInChI=1S/C7H5N7S/c1-2-15-7(8-1)5-4(9-3-10-5)6-11-13-14-12-6/h1-3H,(H,9,10)(H,11,12,13,14)
InChIKeyFMXQCLXZACBYFK-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.71
Rot. Bonds2

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

2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole (PubChem CID 173289620) has the molecular formula C7H5N7S and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
PubChem CID173289620
Molecular FormulaC7H5N7S
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC Name2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESc1csc(-c2[nH]cnc2-c2nn[nH]n2)n1
InChIInChI=1S/C7H5N7S/c1-2-15-7(8-1)5-4(9-3-10-5)6-11-13-14-12-6/h1-3H,(H,9,10)(H,11,12,13,14)
InChIKeyFMXQCLXZACBYFK-UHFFFAOYSA-N
XLogP0.71
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-imidazol-2-yl)-1-[2-(2H-triazol-4-ylsulfanyl)ethyl]triazole
CID 70727084
N-(prop-2-ynyldiazenyl)-5-(1,3-thiazol-2-yl)-1H-imidazol-4-amine
CID 172466198
5-(1,3-thiazol-2-yl)-1H-imidazol-4-amine;hydrochloride
CID 172455369
2-(1H-imidazol-4-yl)-1,3-thiazole
CID 53773131
2-[(1S)-1-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 95209830
2-[(1S)-1-[4-(1H-imidazol-2-yl)triazol-1-yl]propyl]-4,5-dimethyl-1,3-thiazole
CID 97132861
5-(1,3-thiazol-2-yl)-1H-imidazol-2-amine
CID 66202877
2'-butyl-1-[1-(1,3-thiazol-2-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56752146
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56917449
2-(2-methyl-1H-imidazol-5-yl)-1,3-thiazole
CID 20222089
5-(1,3-thiazol-2-yl)-1H-imidazole-2,4-diamine
CID 69334775
5-(1H-imidazol-2-yl)-2-(1,3-thiazol-4-yl)-1,3-thiazole
CID 69971556

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole (CID 173289620) is 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole is c1csc(-c2[nH]cnc2-c2nn[nH]n2)n1.
What is the InChIKey of 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The InChIKey is FMXQCLXZACBYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N7S/c1-2-15-7(8-1)5-4(9-3-10-5)6-11-13-14-12-6/h1-3H,(H,9,10)(H,11,12,13,14).
What are the key properties of 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole?
2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole has a molecular weight of 219.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 173289620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).