N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide

C13H10N4O2S — CID 122163006

IUPACN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nccnc1-c1ccoc1)c1cscn1
InChIInChI=1S/C13H10N4O2S/c18-13(11-7-20-8-17-11)16-5-10-12(15-3-2-14-10)9-1-4-19-6-9/h1-4,6-8H,5H2,(H,16,18)
InChIKeyOGGULMSNALQNTM-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.12
Rot. Bonds4

About N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 122163006) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID122163006
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nccnc1-c1ccoc1)c1cscn1
InChIInChI=1S/C13H10N4O2S/c18-13(11-7-20-8-17-11)16-5-10-12(15-3-2-14-10)9-1-4-19-6-9/h1-4,6-8H,5H2,(H,16,18)
InChIKeyOGGULMSNALQNTM-UHFFFAOYSA-N
XLogP2.12
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 122163006) is N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1nccnc1-c1ccoc1)c1cscn1.
What is the InChIKey of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OGGULMSNALQNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-13(11-7-20-8-17-11)16-5-10-12(15-3-2-14-10)9-1-4-19-6-9/h1-4,6-8H,5H2,(H,16,18).
What are the key properties of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122163006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).