2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole

C14H10N6S — CID 141064150

IUPAC2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESc1c[nH]c(-c2nc(-c3cnccn3)sc2-c2ccn[nH]2)c1
InChIInChI=1S/C14H10N6S/c1-2-9(16-4-1)12-13(10-3-5-18-20-10)21-14(19-12)11-8-15-6-7-17-11/h1-8,16H,(H,18,20)
InChIKeyADPDMCNTVSRPOD-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.99
Rot. Bonds3

About 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole

2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 141064150) has the molecular formula C14H10N6S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
PubChem CID141064150
Molecular FormulaC14H10N6S
Molecular Weight294.34 g/mol
Exact Mass294.07
IUPAC Name2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESc1c[nH]c(-c2nc(-c3cnccn3)sc2-c2ccn[nH]2)c1
InChIInChI=1S/C14H10N6S/c1-2-9(16-4-1)12-13(10-3-5-18-20-10)21-14(19-12)11-8-15-6-7-17-11/h1-8,16H,(H,18,20)
InChIKeyADPDMCNTVSRPOD-UHFFFAOYSA-N
XLogP2.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole (CID 141064150) is 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole is c1c[nH]c(-c2nc(-c3cnccn3)sc2-c2ccn[nH]2)c1.
What is the InChIKey of 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is ADPDMCNTVSRPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S/c1-2-9(16-4-1)12-13(10-3-5-18-20-10)21-14(19-12)11-8-15-6-7-17-11/h1-8,16H,(H,18,20).
What are the key properties of 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 294.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 141064150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).