1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

C12H12FN3S2 — CID 3001163

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESFc1cccc(CCNC(=S)Nc2nccs2)c1
InChIInChI=1S/C12H12FN3S2/c13-10-3-1-2-9(8-10)4-5-14-11(17)16-12-15-6-7-18-12/h1-3,6-8H,4-5H2,(H2,14,15,16,17)
InChIKeyNDHSDDFIIZKISX-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3001163) has the molecular formula C12H12FN3S2 and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3001163
Molecular FormulaC12H12FN3S2
Molecular Weight281.38 g/mol
Exact Mass281.05
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESFc1cccc(CCNC(=S)Nc2nccs2)c1
InChIInChI=1S/C12H12FN3S2/c13-10-3-1-2-9(8-10)4-5-14-11(17)16-12-15-6-7-18-12/h1-3,6-8H,4-5H2,(H2,14,15,16,17)
InChIKeyNDHSDDFIIZKISX-UHFFFAOYSA-N
XLogP2.81
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.81
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-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
CID 19703671
1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703456
1-[2-(3-fluorophenyl)ethyl]-3-(1H-imidazol-2-yl)thiourea
CID 19703276
1-[2-(1-methylpyrrol-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001098
1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 19703423
1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 22923229
1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 59906680
4-[2-(3-fluorophenyl)ethylcarbamothioylamino]benzamide
CID 18416397
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine;hydroiodide
CID 111832018
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 141216526
N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine
CID 173407202

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea (CID 3001163) is 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea is Fc1cccc(CCNC(=S)Nc2nccs2)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is NDHSDDFIIZKISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S2/c13-10-3-1-2-9(8-10)4-5-14-11(17)16-12-15-6-7-18-12/h1-3,6-8H,4-5H2,(H2,14,15,16,17).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 281.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3001163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).