1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea

C14H14FN3S — CID 19703456

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
SMILESFc1cccc(CCNC(=S)Nc2ccccn2)c1
InChIInChI=1S/C14H14FN3S/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19)
InChIKeyXYBLRNWQNWGMHH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea

1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea (PubChem CID 19703456) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
PubChem CID19703456
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
SMILESFc1cccc(CCNC(=S)Nc2ccccn2)c1
InChIInChI=1S/C14H14FN3S/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19)
InChIKeyXYBLRNWQNWGMHH-UHFFFAOYSA-N
XLogP2.75
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.75
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-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703834
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
1-[2-(3-fluorophenyl)ethyl]-3-(1H-imidazol-2-yl)thiourea
CID 19703276
1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001163
1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 19703423
1-pyridin-2-yl-3-[2-(2,3,4-trifluorophenyl)ethyl]thiourea
CID 19703878
1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 59906680
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
CID 108894672
1-(2,4-difluorophenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 2730114
4-[2-(3-fluorophenyl)ethylcarbamothioylamino]benzamide
CID 18416397
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36962482

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea (CID 19703456) is 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea is Fc1cccc(CCNC(=S)Nc2ccccn2)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea?
The InChIKey is XYBLRNWQNWGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea?
1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea has a molecular weight of 275.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea is sourced from PubChem (CID 19703456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).