4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one

C14H17N3OS — CID 79968138

IUPAC4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one
SMILESCC(C)N1C(=O)N=C(N)C12CCSc1ccccc12
InChIInChI=1S/C14H17N3OS/c1-9(2)17-13(18)16-12(15)14(17)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyNHVDTIUQNQQLSV-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.58
Rot. Bonds1

About 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one

4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one (PubChem CID 79968138) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one
PubChem CID79968138
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one
SMILESCC(C)N1C(=O)N=C(N)C12CCSc1ccccc12
InChIInChI=1S/C14H17N3OS/c1-9(2)17-13(18)16-12(15)14(17)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyNHVDTIUQNQQLSV-UHFFFAOYSA-N
XLogP2.58
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-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 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one (CID 79968138) is 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one is CC(C)N1C(=O)N=C(N)C12CCSc1ccccc12.
What is the InChIKey of 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one?
The InChIKey is NHVDTIUQNQQLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(2)17-13(18)16-12(15)14(17)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one?
4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one has a molecular weight of 275.38 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-propan-2-ylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-2'-one is sourced from PubChem (CID 79968138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).