5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole

C16H12N4S — CID 167071781

IUPAC5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole
SMILESCc1sc(-c2c[nH]c3nccnc23)nc1-c1ccccc1
InChIInChI=1S/C16H12N4S/c1-10-13(11-5-3-2-4-6-11)20-16(21-10)12-9-19-15-14(12)17-7-8-18-15/h2-9H,1H3,(H,18,19)
InChIKeyATXPAVRUMGSOHM-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.06
Rot. Bonds2

About 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole

5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole (PubChem CID 167071781) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole
PubChem CID167071781
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole
SMILESCc1sc(-c2c[nH]c3nccnc23)nc1-c1ccccc1
InChIInChI=1S/C16H12N4S/c1-10-13(11-5-3-2-4-6-11)20-16(21-10)12-9-19-15-14(12)17-7-8-18-15/h2-9H,1H3,(H,18,19)
InChIKeyATXPAVRUMGSOHM-UHFFFAOYSA-N
XLogP4.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole (CID 167071781) is 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole is Cc1sc(-c2c[nH]c3nccnc23)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole?
The InChIKey is ATXPAVRUMGSOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-10-13(11-5-3-2-4-6-11)20-16(21-10)12-9-19-15-14(12)17-7-8-18-15/h2-9H,1H3,(H,18,19).
What are the key properties of 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole?
5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole has a molecular weight of 292.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole is sourced from PubChem (CID 167071781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).