1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea

C13H12FN3S — CID 19686070

IUPAC1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea
SMILESCc1ccc(NC(=S)Nc2ccc(F)cc2)nc1
InChIInChI=1S/C13H12FN3S/c1-9-2-7-12(15-8-9)17-13(18)16-11-5-3-10(14)4-6-11/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyYMQXGOZUNSRQIU-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea

1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea (PubChem CID 19686070) has the molecular formula C13H12FN3S and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea
PubChem CID19686070
Molecular FormulaC13H12FN3S
Molecular Weight261.33 g/mol
Exact Mass261.07
IUPAC Name1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea
SMILESCc1ccc(NC(=S)Nc2ccc(F)cc2)nc1
InChIInChI=1S/C13H12FN3S/c1-9-2-7-12(15-8-9)17-13(18)16-11-5-3-10(14)4-6-11/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyYMQXGOZUNSRQIU-UHFFFAOYSA-N
XLogP3.34
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.34
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-(4-butylphenyl)-3-(5-methyl-2-pyridinyl)thiourea
CID 8017252
ethyl 4-[(5-methyl-2-pyridinyl)carbamothioylamino]benzoate
CID 19686092
1-(5-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19686091
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 904354
1-(4-fluorophenyl)-3-[6-[(4-fluorophenyl)carbamothioylamino]-2-pyridinyl]thiourea
CID 2731256
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 681237
1-(4-fluorophenyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 3624960
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)thiourea
CID 19686076
1-(4-methylphenyl)-3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiourea
CID 2384954
1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 910357
4-[(4-fluorophenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35025590
1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea
CID 100664632

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea (CID 19686070) is 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea is Cc1ccc(NC(=S)Nc2ccc(F)cc2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea?
The InChIKey is YMQXGOZUNSRQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-9-2-7-12(15-8-9)17-13(18)16-11-5-3-10(14)4-6-11/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea?
1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea has a molecular weight of 261.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 19686070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).