1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea

C19H19ClN2S — CID 97013102

IUPAC1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea
SMILESS=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C19H19ClN2S/c20-17-6-2-5-16-15(17)9-10-18(16)22-19(23)21-14-8-7-12-3-1-4-13(12)11-14/h2,5-8,11,18H,1,3-4,9-10H2,(H2,21,22,23)/t18-/m1/s1
InChIKeyHIZFRAXEBNKESG-GOSISDBHSA-N
MW342.89 g/mol
LogP4.80
Rot. Bonds2

About 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea

1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea (PubChem CID 97013102) has the molecular formula C19H19ClN2S and a molecular weight of 342.89 g/mol. Its IUPAC name is 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea.

Molecular Properties

Compound Name1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea
PubChem CID97013102
Molecular FormulaC19H19ClN2S
Molecular Weight342.89 g/mol
Exact Mass342.10
IUPAC Name1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea
SMILESS=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C19H19ClN2S/c20-17-6-2-5-16-15(17)9-10-18(16)22-19(23)21-14-8-7-12-3-1-4-13(12)11-14/h2,5-8,11,18H,1,3-4,9-10H2,(H2,21,22,23)/t18-/m1/s1
InChIKeyHIZFRAXEBNKESG-GOSISDBHSA-N
XLogP4.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea 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-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea?
The IUPAC name of 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea (CID 97013102) is 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea.
What is the SMILES notation for 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea?
The canonical SMILES for 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea is S=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCc2c(Cl)cccc21.
What is the InChIKey of 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea?
The InChIKey is HIZFRAXEBNKESG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19ClN2S/c20-17-6-2-5-16-15(17)9-10-18(16)22-19(23)21-14-8-7-12-3-1-4-13(12)11-14/h2,5-8,11,18H,1,3-4,9-10H2,(H2,21,22,23)/t18-/m1/s1.
What are the key properties of 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea?
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea has a molecular weight of 342.89 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2,3-dihydro-1H-inden-5-yl)thiourea is sourced from PubChem (CID 97013102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).