1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea

C19H20ClFN2OS — CID 59202285

IUPAC1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea
SMILESOCC(Cc1ccc(Cl)cc1)NC(=S)NC1CCc2c(F)cccc21
InChIInChI=1S/C19H20ClFN2OS/c20-13-6-4-12(5-7-13)10-14(11-24)22-19(25)23-18-9-8-15-16(18)2-1-3-17(15)21/h1-7,14,18,24H,8-11H2,(H2,22,23,25)
InChIKeyGSHBHYNPCUXGTH-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.53
Rot. Bonds5

About 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea

1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea (PubChem CID 59202285) has the molecular formula C19H20ClFN2OS and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea
PubChem CID59202285
Molecular FormulaC19H20ClFN2OS
Molecular Weight378.90 g/mol
Exact Mass378.10
IUPAC Name1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea
SMILESOCC(Cc1ccc(Cl)cc1)NC(=S)NC1CCc2c(F)cccc21
InChIInChI=1S/C19H20ClFN2OS/c20-13-6-4-12(5-7-13)10-14(11-24)22-19(25)23-18-9-8-15-16(18)2-1-3-17(15)21/h1-7,14,18,24H,8-11H2,(H2,22,23,25)
InChIKeyGSHBHYNPCUXGTH-UHFFFAOYSA-N
XLogP3.53
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea (CID 59202285) is 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea is OCC(Cc1ccc(Cl)cc1)NC(=S)NC1CCc2c(F)cccc21.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea?
The InChIKey is GSHBHYNPCUXGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2OS/c20-13-6-4-12(5-7-13)10-14(11-24)22-19(25)23-18-9-8-15-16(18)2-1-3-17(15)21/h1-7,14,18,24H,8-11H2,(H2,22,23,25).
What are the key properties of 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea?
1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea has a molecular weight of 378.90 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiourea is sourced from PubChem (CID 59202285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).