prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

About prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2144252) has the molecular formula C24H17N3O5S and a molecular weight of 459.48 g/mol. Its IUPAC name is prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name	prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID	2144252
Molecular Formula	C24H17N3O5S
Molecular Weight	459.48 g/mol
Exact Mass	459.09
IUPAC Name	prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILES	C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccnc2)nc1C
InChI	InChI=1S/C24H17N3O5S/c1-3-11-31-23(30)21-13(2)26-24(33-21)27-18(14-7-6-10-25-12-14)17-19(28)15-8-4-5-9-16(15)32-20(17)22(27)29/h3-10,12,18H,1,11H2,2H3/t18-/m1/s1
InChIKey	OOLSWMQDXRQVSB-GOSISDBHSA-N
XLogP	4.05
TPSA	102.60 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.48
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 2144252) is prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccnc2)nc1C.

What is the InChIKey of prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is OOLSWMQDXRQVSB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H17N3O5S/c1-3-11-31-23(30)21-13(2)26-24(33-21)27-18(14-7-6-10-25-12-14)17-19(28)15-8-4-5-9-16(15)32-20(17)22(27)29/h3-10,12,18H,1,11H2,2H3/t18-/m1/s1.

What are the key properties of prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 459.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 2-[(1R)-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2144252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).