1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea

C16H18FN3S — CID 19703423

IUPAC1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
SMILESCCc1cccnc1NC(=S)NCCc1cccc(F)c1
InChIInChI=1S/C16H18FN3S/c1-2-13-6-4-9-18-15(13)20-16(21)19-10-8-12-5-3-7-14(17)11-12/h3-7,9,11H,2,8,10H2,1H3,(H2,18,19,20,21)
InChIKeyIVERJBDVLDUPFS-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea

1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea (PubChem CID 19703423) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
PubChem CID19703423
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
SMILESCCc1cccnc1NC(=S)NCCc1cccc(F)c1
InChIInChI=1S/C16H18FN3S/c1-2-13-6-4-9-18-15(13)20-16(21)19-10-8-12-5-3-7-14(17)11-12/h3-7,9,11H,2,8,10H2,1H3,(H2,18,19,20,21)
InChIKeyIVERJBDVLDUPFS-UHFFFAOYSA-N
XLogP3.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703456
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea
CID 19703519
1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001163
1-[2-(3-fluorophenyl)ethyl]-3-(1H-imidazol-2-yl)thiourea
CID 19703276
1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 59906680
1-(3-bromo-2-pyridinyl)-3-[2-(3-methoxyphenyl)ethyl]thiourea
CID 19703444
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886
4-[2-(3-fluorophenyl)ethylcarbamothioylamino]benzamide
CID 18416397
3-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 105388258
1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea
CID 19703669
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea (CID 19703423) is 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea is CCc1cccnc1NC(=S)NCCc1cccc(F)c1.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea?
The InChIKey is IVERJBDVLDUPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-2-13-6-4-9-18-15(13)20-16(21)19-10-8-12-5-3-7-14(17)11-12/h3-7,9,11H,2,8,10H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea?
1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea has a molecular weight of 303.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea is sourced from PubChem (CID 19703423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).