5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one

C12H10N2OS2 — CID 10563452

IUPAC5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one
SMILESNc1cc2c(cc1Sc1nccs1)C(=O)CC2
InChIInChI=1S/C12H10N2OS2/c13-9-5-7-1-2-10(15)8(7)6-11(9)17-12-14-3-4-16-12/h3-6H,1-2,13H2
InChIKeyUPVRCSGNNCCKNI-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.01
Rot. Bonds2

About 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one

5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one (PubChem CID 10563452) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one
PubChem CID10563452
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one
SMILESNc1cc2c(cc1Sc1nccs1)C(=O)CC2
InChIInChI=1S/C12H10N2OS2/c13-9-5-7-1-2-10(15)8(7)6-11(9)17-12-14-3-4-16-12/h3-6H,1-2,13H2
InChIKeyUPVRCSGNNCCKNI-UHFFFAOYSA-N
XLogP3.01
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-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

Related Compounds

5-amino-6-(4-methylphenyl)sulfanyl-2,3-dihydroinden-1-one
CID 10707102
7-amino-6-(1,3-thiazol-2-ylsulfanyl)-4H-1,4-benzoxazin-3-one
CID 61219502
3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
CID 106949975
5-amino-6-benzylsulfanyl-2,3-dihydroinden-1-one
CID 86690992
3-amino-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)benzamide
CID 83000388
4-amino-N-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzamide
CID 63357334
ethyl 3-amino-4-(1,3-thiazol-2-ylsulfanyl)benzoate
CID 61305432
7,8-dihydrocyclopenta[g]quinoxalin-6-one
CID 55297307
1-[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 62912969
5-amino-2-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzenesulfonamide
CID 79905305
2-nitro-3-(1,3-thiazol-2-ylsulfanyl)aniline
CID 80885581
(1S)-1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 63370299

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one (CID 10563452) is 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one is Nc1cc2c(cc1Sc1nccs1)C(=O)CC2.
What is the InChIKey of 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one?
The InChIKey is UPVRCSGNNCCKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c13-9-5-7-1-2-10(15)8(7)6-11(9)17-12-14-3-4-16-12/h3-6H,1-2,13H2.
What are the key properties of 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one?
5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one has a molecular weight of 262.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 10563452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).