N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

C24H27N5O3S — CID 92726920

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESC=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O
InChIInChI=1S/C24H27N5O3S/c1-2-12-28-22(31)20-21(26-23(33-20)27-13-6-3-7-14-27)29(24(28)32)15-19(30)25-18-11-10-16-8-4-5-9-17(16)18/h2,4-5,8-9,18H,1,3,6-7,10-15H2,(H,25,30)/t18-/m0/s1
InChIKeyFMXFDVARTWMTJA-SFHVURJKSA-N
MW465.58 g/mol
LogP2.60
Rot. Bonds6

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (PubChem CID 92726920) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
PubChem CID92726920
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESC=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O
InChIInChI=1S/C24H27N5O3S/c1-2-12-28-22(31)20-21(26-23(33-20)27-13-6-3-7-14-27)29(24(28)32)15-19(30)25-18-11-10-16-8-4-5-9-17(16)18/h2,4-5,8-9,18H,1,3,6-7,10-15H2,(H,25,30)/t18-/m0/s1
InChIKeyFMXFDVARTWMTJA-SFHVURJKSA-N
XLogP2.60
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (CID 92726920) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The InChIKey is FMXFDVARTWMTJA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-2-12-28-22(31)20-21(26-23(33-20)27-13-6-3-7-14-27)29(24(28)32)15-19(30)25-18-11-10-16-8-4-5-9-17(16)18/h2,4-5,8-9,18H,1,3,6-7,10-15H2,(H,25,30)/t18-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide has a molecular weight of 465.58 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 92726920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).