1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea

C12H10Cl2N2OS — CID 6469164

IUPAC1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c13-8-3-4-10(14)11(6-8)16-12(17)15-7-9-2-1-5-18-9/h1-6H,7H2,(H2,15,16,17)
InChIKeyMEEMXBRDZOHCPY-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.38
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea

1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 6469164) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID6469164
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c13-8-3-4-10(14)11(6-8)16-12(17)15-7-9-2-1-5-18-9/h1-6H,7H2,(H2,15,16,17)
InChIKeyMEEMXBRDZOHCPY-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea 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

N-(3,5-dichlorophenyl)-N'-(2-thienylmethyl)thiourea
CID 2730105
1-(3-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2059105
1-(5-tert-Butyl-thiophen-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 44305055
1-(2-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 892696
1-(2,3-Dichlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 970626
1-(4-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2257886
N-(2-chlorophenyl)-N'-thien-2-ylurea
CID 3238296
1-(4-Chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3600113
1-(3-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3639895
1-(3,4-Dichlorophenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-YL)ethyl]urea
CID 4571219
N-[3-chloro-4-(isopropylsulfonyl)-2-thienyl]-N'-(2,5-dichlorophenyl)urea
CID 2820006
1-(4-Chloro-phenyl)-3-(2,5-dichloro-thiophen-3-yl)-urea
CID 597575

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea (CID 6469164) is 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is MEEMXBRDZOHCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-8-3-4-10(14)11(6-8)16-12(17)15-7-9-2-1-5-18-9/h1-6H,7H2,(H2,15,16,17).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea?
1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 301.20 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 6469164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).