1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea

C14H13FN2OS — CID 910357

IUPAC1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
SMILESCc1ccc(O)c(NC(=S)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2OS/c1-9-2-7-13(18)12(8-9)17-14(19)16-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyHJOVHPCCISSQBK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.65
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea

1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea (PubChem CID 910357) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
PubChem CID910357
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
SMILESCc1ccc(O)c(NC(=S)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2OS/c1-9-2-7-13(18)12(8-9)17-14(19)16-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyHJOVHPCCISSQBK-UHFFFAOYSA-N
XLogP3.65
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 681237
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 904354
1-(2-hydroxy-5-methylphenyl)-3-methylthiourea
CID 12751497
1-(4-fluorophenyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 3624960
(E)-3-(4-fluorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]prop-2-enamide
CID 920860
1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 17285028
1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea
CID 87655959
1-(3-fluoro-2-methylphenyl)-3-(4-fluorophenyl)thiourea
CID 53488526
N-(4-fluorophenyl)-4-methylbenzenecarbothioamide
CID 10399620
1-(4-fluorophenyl)-3-(5-methyl-2-pyridinyl)thiourea
CID 19686070
methyl 4-[(2-fluoro-5-methylphenyl)carbamothioylamino]benzoate
CID 53364822
1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]phenyl]thiourea
CID 3450278

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea (CID 910357) is 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea is Cc1ccc(O)c(NC(=S)Nc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea?
The InChIKey is HJOVHPCCISSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-9-2-7-13(18)12(8-9)17-14(19)16-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H2,16,17,19).
What are the key properties of 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea?
1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea has a molecular weight of 276.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea is sourced from PubChem (CID 910357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).