2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one

C29H20N4O2S — CID 87663079

IUPAC2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
SMILESC=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1)c1ccco1
InChIInChI=1S/C29H20N4O2S/c1-19(24-17-10-18-35-24)30-29-32-25(20-11-4-2-5-12-20)26(36-29)27-31-23-16-9-8-15-22(23)28(34)33(27)21-13-6-3-7-14-21/h2-18H,1H2,(H,30,32)
InChIKeyNOSVPFJUDGEKQG-UHFFFAOYSA-N
MW488.57 g/mol
LogP6.85
Rot. Bonds6

About 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one

2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one (PubChem CID 87663079) has the molecular formula C29H20N4O2S and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
PubChem CID87663079
Molecular FormulaC29H20N4O2S
Molecular Weight488.57 g/mol
Exact Mass488.13
IUPAC Name2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
SMILESC=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1)c1ccco1
InChIInChI=1S/C29H20N4O2S/c1-19(24-17-10-18-35-24)30-29-32-25(20-11-4-2-5-12-20)26(36-29)27-31-23-16-9-8-15-22(23)28(34)33(27)21-13-6-3-7-14-21/h2-18H,1H2,(H,30,32)
InChIKeyNOSVPFJUDGEKQG-UHFFFAOYSA-N
XLogP6.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one (CID 87663079) is 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one is C=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1)c1ccco1.
What is the InChIKey of 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one?
The InChIKey is NOSVPFJUDGEKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O2S/c1-19(24-17-10-18-35-24)30-29-32-25(20-11-4-2-5-12-20)26(36-29)27-31-23-16-9-8-15-22(23)28(34)33(27)21-13-6-3-7-14-21/h2-18H,1H2,(H,30,32).
What are the key properties of 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one?
2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one has a molecular weight of 488.57 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 87663079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).