1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one

C11H17N3OS — CID 82194154

IUPAC1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1Cc2nc(N)sc2C1
InChIInChI=1S/C11H17N3OS/c1-3-7(4-2)10(15)14-5-8-9(6-14)16-11(12)13-8/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeyDJWVLFHCGROICT-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.00
Rot. Bonds3

About 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one

1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one (PubChem CID 82194154) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one
PubChem CID82194154
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1Cc2nc(N)sc2C1
InChIInChI=1S/C11H17N3OS/c1-3-7(4-2)10(15)14-5-8-9(6-14)16-11(12)13-8/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeyDJWVLFHCGROICT-UHFFFAOYSA-N
XLogP2.00
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one 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 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one?
The IUPAC name of 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one (CID 82194154) is 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one?
The canonical SMILES for 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one is CCC(CC)C(=O)N1Cc2nc(N)sc2C1.
What is the InChIKey of 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one?
The InChIKey is DJWVLFHCGROICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-7(4-2)10(15)14-5-8-9(6-14)16-11(12)13-8/h7H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one?
1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one has a molecular weight of 239.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-ethylbutan-1-one is sourced from PubChem (CID 82194154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).