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

C8H6N6S — CID 141114943

IUPAC2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole
SMILESc1c[nH]c(-n2nnnc2-c2nccs2)c1
InChIInChI=1S/C8H6N6S/c1-2-6(9-3-1)14-7(11-12-13-14)8-10-4-5-15-8/h1-5,9H
InChIKeyUVOAMGYOFATSEM-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.11
Rot. Bonds2

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

2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole (PubChem CID 141114943) has the molecular formula C8H6N6S and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole
PubChem CID141114943
Molecular FormulaC8H6N6S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole
SMILESc1c[nH]c(-n2nnnc2-c2nccs2)c1
InChIInChI=1S/C8H6N6S/c1-2-6(9-3-1)14-7(11-12-13-14)8-10-4-5-15-8/h1-5,9H
InChIKeyUVOAMGYOFATSEM-UHFFFAOYSA-N
XLogP1.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-imidazole;1H-pyrrole;1,3-thiazole
CID 69838280
dioxomolybdenum(2+);bis(N-[dithiocarboxy(1H-pyrrol-2-yl)amino]-N-(1,3-thiazol-2-yl)carbamodithioate)
CID 87512922
2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole
CID 141121730
1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
CID 5065710
[dithiocarboxy(1H-pyrrol-2-yl)amino]-(1,3-thiazol-2-yl)carbamodithioic acid
CID 87512923
Pyrrol-2-yl-1,3-thiazol-2-yldiazene
CID 135679332
2-(1H-pyrrol-3-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 136323085

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole (CID 141114943) is 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole is c1c[nH]c(-n2nnnc2-c2nccs2)c1.
What is the InChIKey of 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole?
The InChIKey is UVOAMGYOFATSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6S/c1-2-6(9-3-1)14-7(11-12-13-14)8-10-4-5-15-8/h1-5,9H.
What are the key properties of 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole?
2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole has a molecular weight of 218.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrrol-2-yl)tetrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 141114943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).