N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C16H10N4O3S — CID 7998465

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnccn1
InChIInChI=1S/C16H10N4O3S/c21-15(10-9-17-5-6-18-10)20-16-19-13(11-3-1-7-22-11)14(24-16)12-4-2-8-23-12/h1-9H,(H,19,20,21)
InChIKeyRZWKZIBNIIKMEP-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.71
Rot. Bonds4

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 7998465) has the molecular formula C16H10N4O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID7998465
Molecular FormulaC16H10N4O3S
Molecular Weight338.35 g/mol
Exact Mass338.05
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnccn1
InChIInChI=1S/C16H10N4O3S/c21-15(10-9-17-5-6-18-10)20-16-19-13(11-3-1-7-22-11)14(24-16)12-4-2-8-23-12/h1-9H,(H,19,20,21)
InChIKeyRZWKZIBNIIKMEP-UHFFFAOYSA-N
XLogP3.71
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 7998465) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnccn1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is RZWKZIBNIIKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3S/c21-15(10-9-17-5-6-18-10)20-16-19-13(11-3-1-7-22-11)14(24-16)12-4-2-8-23-12/h1-9H,(H,19,20,21).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 7998465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).