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

C13H10N6S — CID 141214750

IUPAC2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESc1c[nH]c(-c2nc(-c3ccn[nH]3)[nH]c2-c2nccs2)c1
InChIInChI=1S/C13H10N6S/c1-2-8(14-4-1)10-11(13-15-6-7-20-13)18-12(17-10)9-3-5-16-19-9/h1-7,14H,(H,16,19)(H,17,18)
InChIKeyOQYAUVJJUGROGA-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.92
Rot. Bonds3

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

2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole (PubChem CID 141214750) has the molecular formula C13H10N6S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
PubChem CID141214750
Molecular FormulaC13H10N6S
Molecular Weight282.33 g/mol
Exact Mass282.07
IUPAC Name2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESc1c[nH]c(-c2nc(-c3ccn[nH]3)[nH]c2-c2nccs2)c1
InChIInChI=1S/C13H10N6S/c1-2-8(14-4-1)10-11(13-15-6-7-20-13)18-12(17-10)9-3-5-16-19-9/h1-7,14H,(H,16,19)(H,17,18)
InChIKeyOQYAUVJJUGROGA-UHFFFAOYSA-N
XLogP2.92
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 10582938
2-[2-(1H-pyrazol-5-yl)-1H-indol-3-yl]-1,3-thiazole
CID 137228711
2-(2H-isoindol-1-yl)-1,3-thiazole
CID 142631117
2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 141064150
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole
CID 141056964
4-(3,5-dichlorophenyl)-5-phenyl-2-(1H-pyrrol-2-yl)-1H-imidazole
CID 151060010
2-(1H-pyrrol-2-yl)-3H-imidazo[4,5-c]pyridine
CID 137298700
2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 20555356
2-chloro-3-(1H-pyrrol-2-yl)pyrazine
CID 103341752
4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole
CID 141053707
4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole
CID 141030626
1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol
CID 136643645

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole (CID 141214750) is 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole is c1c[nH]c(-c2nc(-c3ccn[nH]3)[nH]c2-c2nccs2)c1.
What is the InChIKey of 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The InChIKey is OQYAUVJJUGROGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S/c1-2-8(14-4-1)10-11(13-15-6-7-20-13)18-12(17-10)9-3-5-16-19-9/h1-7,14H,(H,16,19)(H,17,18).
What are the key properties of 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole?
2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole has a molecular weight of 282.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 141214750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).