2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol

C16H14N4OS — CID 167546703

IUPAC2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol
SMILES[H]/N=C(\CO)c1nccnc1Cc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H14N4OS/c17-13(10-21)15-14(18-5-6-19-15)9-11-1-3-12(4-2-11)16-20-7-8-22-16/h1-8,17,21H,9-10H2/b17-13+
InChIKeyOIBIPCNQLZPLRW-GHRIWEEISA-N
MW310.38 g/mol
LogP2.55
Rot. Bonds5

About 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol

2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol (PubChem CID 167546703) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol
PubChem CID167546703
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol
SMILES[H]/N=C(\CO)c1nccnc1Cc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H14N4OS/c17-13(10-21)15-14(18-5-6-19-15)9-11-1-3-12(4-2-11)16-20-7-8-22-16/h1-8,17,21H,9-10H2/b17-13+
InChIKeyOIBIPCNQLZPLRW-GHRIWEEISA-N
XLogP2.55
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol?
The IUPAC name of 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol (CID 167546703) is 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol?
The canonical SMILES for 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol is [H]/N=C(\CO)c1nccnc1Cc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol?
The InChIKey is OIBIPCNQLZPLRW-GHRIWEEISA-N. The full InChI is InChI=1S/C16H14N4OS/c17-13(10-21)15-14(18-5-6-19-15)9-11-1-3-12(4-2-11)16-20-7-8-22-16/h1-8,17,21H,9-10H2/b17-13+.
What are the key properties of 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol?
2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol has a molecular weight of 310.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol is sourced from PubChem (CID 167546703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).