1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea

C19H23FN2S — CID 100713865

IUPAC1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(F)c1
InChIInChI=1S/C19H23FN2S/c1-14(13-19(2,3)15-8-5-4-6-9-15)21-18(23)22-17-11-7-10-16(20)12-17/h4-12,14H,13H2,1-3H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyBVIPKCRNOCGYQS-AWEZNQCLSA-N
MW330.47 g/mol
LogP4.87
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea

1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea (PubChem CID 100713865) has the molecular formula C19H23FN2S and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea
PubChem CID100713865
Molecular FormulaC19H23FN2S
Molecular Weight330.47 g/mol
Exact Mass330.16
IUPAC Name1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(F)c1
InChIInChI=1S/C19H23FN2S/c1-14(13-19(2,3)15-8-5-4-6-9-15)21-18(23)22-17-11-7-10-16(20)12-17/h4-12,14H,13H2,1-3H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyBVIPKCRNOCGYQS-AWEZNQCLSA-N
XLogP4.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-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

Related Compounds

1-(3-fluorophenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713872
1-(3-methylphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154885
1-(3-chlorophenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154893
1-(3-ethoxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154922
1-(2,6-difluorophenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100714050
methyl 3-[[(2R)-4-methyl-4-phenylpentan-2-yl]carbamothioylamino]benzoate
CID 100714162
1-(4-methylphenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713378
1-(1,3-benzodioxol-5-yl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154903
1-[3-(4-tert-butylbenzoyl)phenyl]-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154929
1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100714585
1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154936
1-(4-cyclopentyloxyphenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100714418

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea (CID 100713865) is 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea is C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea?
The InChIKey is BVIPKCRNOCGYQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN2S/c1-14(13-19(2,3)15-8-5-4-6-9-15)21-18(23)22-17-11-7-10-16(20)12-17/h4-12,14H,13H2,1-3H3,(H2,21,22,23)/t14-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea?
1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea has a molecular weight of 330.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea is sourced from PubChem (CID 100713865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).