1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea

C15H18FN3S2 — CID 8790059

IUPAC1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea
SMILESCN(C)[C@@H](CNC(=S)Nc1ccccc1F)c1cccs1
InChIInChI=1S/C15H18FN3S2/c1-19(2)13(14-8-5-9-21-14)10-17-15(20)18-12-7-4-3-6-11(12)16/h3-9,13H,10H2,1-2H3,(H2,17,18,20)/t13-/m0/s1
InChIKeyYXZVQZNEXCLYKR-ZDUSSCGKSA-N
MW323.46 g/mol
LogP3.48
Rot. Bonds5

About 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea

1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea (PubChem CID 8790059) has the molecular formula C15H18FN3S2 and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea
PubChem CID8790059
Molecular FormulaC15H18FN3S2
Molecular Weight323.46 g/mol
Exact Mass323.09
IUPAC Name1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea
SMILESCN(C)[C@@H](CNC(=S)Nc1ccccc1F)c1cccs1
InChIInChI=1S/C15H18FN3S2/c1-19(2)13(14-8-5-9-21-14)10-17-15(20)18-12-7-4-3-6-11(12)16/h3-9,13H,10H2,1-2H3,(H2,17,18,20)/t13-/m0/s1
InChIKeyYXZVQZNEXCLYKR-ZDUSSCGKSA-N
XLogP3.48
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea
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CID 8696897
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea
CID 18204254
1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea
CID 8684319
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea
CID 7945296
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea
CID 2477457
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43006754
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 42958412

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea (CID 8790059) is 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea is CN(C)[C@@H](CNC(=S)Nc1ccccc1F)c1cccs1.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea?
The InChIKey is YXZVQZNEXCLYKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3S2/c1-19(2)13(14-8-5-9-21-14)10-17-15(20)18-12-7-4-3-6-11(12)16/h3-9,13H,10H2,1-2H3,(H2,17,18,20)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea?
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea has a molecular weight of 323.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 8790059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).