1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea

C12H9ClFN3OS2 — CID 9468703

IUPAC1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C12H9ClFN3OS2/c13-10-6-5-9(20-10)11(18)16-17-12(19)15-8-4-2-1-3-7(8)14/h1-6H,(H,16,18)(H2,15,17,19)
InChIKeyOXNGJJSZFMEHFZ-UHFFFAOYSA-N
MW329.81 g/mol
LogP3.17
Rot. Bonds2

About 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea

1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea (PubChem CID 9468703) has the molecular formula C12H9ClFN3OS2 and a molecular weight of 329.81 g/mol. Its IUPAC name is 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea
PubChem CID9468703
Molecular FormulaC12H9ClFN3OS2
Molecular Weight329.81 g/mol
Exact Mass328.99
IUPAC Name1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C12H9ClFN3OS2/c13-10-6-5-9(20-10)11(18)16-17-12(19)15-8-4-2-1-3-7(8)14/h1-6H,(H,16,18)(H2,15,17,19)
InChIKeyOXNGJJSZFMEHFZ-UHFFFAOYSA-N
XLogP3.17
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-3-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]thiourea
CID 9278230
1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea
CID 9085158
3-chloro-N-[3-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 11842641
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9468669
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
1-[(3-cyanobenzoyl)amino]-3-(2-fluorophenyl)thiourea
CID 9468862
3-chloro-N-[(2-fluorophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4927956
3-chloro-N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
CID 9468642
1-[(4-butylbenzoyl)amino]-3-(2-fluorophenyl)thiourea
CID 9085190
4-[2-[(2-fluorophenyl)carbamothioyl]hydrazinyl]benzoate
CID 8655332
methyl 2-[[(5-chlorothiophene-2-carbonyl)amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 2955981

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea (CID 9468703) is 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea is O=C(NNC(=S)Nc1ccccc1F)c1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea?
The InChIKey is OXNGJJSZFMEHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3OS2/c13-10-6-5-9(20-10)11(18)16-17-12(19)15-8-4-2-1-3-7(8)14/h1-6H,(H,16,18)(H2,15,17,19).
What are the key properties of 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea?
1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea has a molecular weight of 329.81 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 9468703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).