1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea

C14H13ClN2OS — CID 976876

IUPAC1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2OS/c1-18-13-8-3-2-7-12(13)17-14(19)16-11-6-4-5-10(15)9-11/h2-9H,1H3,(H2,16,17,19)
InChIKeyZDJXIKDBZWYIFZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.16
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea

1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea (PubChem CID 976876) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
PubChem CID976876
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2OS/c1-18-13-8-3-2-7-12(13)17-14(19)16-11-6-4-5-10(15)9-11/h2-9H,1H3,(H2,16,17,19)
InChIKeyZDJXIKDBZWYIFZ-UHFFFAOYSA-N
XLogP4.16
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-(2-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
CID 19677525
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
1-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 976499
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
N-(4-chlorophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316907
1-(5-chloro-2-phenoxyphenyl)-3-(3-methoxyphenyl)thiourea
CID 1290351
N-(5-chloro-2-methylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316911
N-(5-chloro-2-methylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316839
2-[(3-chlorophenyl)carbamothioylamino]benzoic acid
CID 91687128
N-[(3-chlorophenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 927027
N-(4-chlorophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide
CID 19317051
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)thiourea
CID 53489351

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea (CID 976876) is 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea?
The InChIKey is ZDJXIKDBZWYIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-18-13-8-3-2-7-12(13)17-14(19)16-11-6-4-5-10(15)9-11/h2-9H,1H3,(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea?
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea has a molecular weight of 292.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 976876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).