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

C13H10N6S — CID 141121737

IUPAC2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole
SMILESc1c[nH]c(-c2n[nH]c(-c3ncc[nH]3)c2-c2nccs2)c1
InChIInChI=1S/C13H10N6S/c1-2-8(14-3-1)10-9(13-17-6-7-20-13)11(19-18-10)12-15-4-5-16-12/h1-7,14H,(H,15,16)(H,18,19)
InChIKeyPNRGNCHPIFYOFO-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.92
Rot. Bonds3

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

2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole (PubChem CID 141121737) has the molecular formula C13H10N6S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole
PubChem CID141121737
Molecular FormulaC13H10N6S
Molecular Weight282.33 g/mol
Exact Mass282.07
IUPAC Name2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole
SMILESc1c[nH]c(-c2n[nH]c(-c3ncc[nH]3)c2-c2nccs2)c1
InChIInChI=1S/C13H10N6S/c1-2-8(14-3-1)10-9(13-17-6-7-20-13)11(19-18-10)12-15-4-5-16-12/h1-7,14H,(H,15,16)(H,18,19)
InChIKeyPNRGNCHPIFYOFO-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole (CID 141121737) is 2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole is c1c[nH]c(-c2n[nH]c(-c3ncc[nH]3)c2-c2nccs2)c1.
What is the InChIKey of 2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole?
The InChIKey is PNRGNCHPIFYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S/c1-2-8(14-3-1)10-9(13-17-6-7-20-13)11(19-18-10)12-15-4-5-16-12/h1-7,14H,(H,15,16)(H,18,19).
What are the key properties of 2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole?
2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-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-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 141121737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).