1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea

C10H8FN3S2 — CID 773605

IUPAC1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESFc1ccc(NC(=S)Nc2nccs2)cc1
InChIInChI=1S/C10H8FN3S2/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-6H,(H2,12,13,14,15)
InChIKeyZFAMDCCGNXBKRF-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea

1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 773605) has the molecular formula C10H8FN3S2 and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID773605
Molecular FormulaC10H8FN3S2
Molecular Weight253.33 g/mol
Exact Mass253.01
IUPAC Name1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESFc1ccc(NC(=S)Nc2nccs2)cc1
InChIInChI=1S/C10H8FN3S2/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-6H,(H2,12,13,14,15)
InChIKeyZFAMDCCGNXBKRF-UHFFFAOYSA-N
XLogP3.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea (CID 773605) is 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea is Fc1ccc(NC(=S)Nc2nccs2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is ZFAMDCCGNXBKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S2/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-6H,(H2,12,13,14,15).
What are the key properties of 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 253.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 773605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).