2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid

C21H24N4O5S — CID 146472382

IUPAC2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESCOC(=O)C(C)(C)c1ccc(-c2csc(N3CC4CN(C(=O)O)CCN4C3=O)n2)cc1
InChIInChI=1S/C21H24N4O5S/c1-21(2,17(26)30-3)14-6-4-13(5-7-14)16-12-31-18(22-16)25-11-15-10-23(20(28)29)8-9-24(15)19(25)27/h4-7,12,15H,8-11H2,1-3H3,(H,28,29)
InChIKeyKOPSOCHCRKKZAB-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.86
Rot. Bonds4

About 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid

2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 146472382) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID146472382
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESCOC(=O)C(C)(C)c1ccc(-c2csc(N3CC4CN(C(=O)O)CCN4C3=O)n2)cc1
InChIInChI=1S/C21H24N4O5S/c1-21(2,17(26)30-3)14-6-4-13(5-7-14)16-12-31-18(22-16)25-11-15-10-23(20(28)29)8-9-24(15)19(25)27/h4-7,12,15H,8-11H2,1-3H3,(H,28,29)
InChIKeyKOPSOCHCRKKZAB-UHFFFAOYSA-N
XLogP2.86
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid (CID 146472382) is 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid is COC(=O)C(C)(C)c1ccc(-c2csc(N3CC4CN(C(=O)O)CCN4C3=O)n2)cc1.
What is the InChIKey of 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is KOPSOCHCRKKZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-21(2,17(26)30-3)14-6-4-13(5-7-14)16-12-31-18(22-16)25-11-15-10-23(20(28)29)8-9-24(15)19(25)27/h4-7,12,15H,8-11H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 444.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 146472382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).