1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea

C13H9ClN4O2S — CID 741055

IUPAC1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C13H9ClN4O2S/c14-8-3-1-4-9(7-8)15-12(19)16-13-18-17-11(21-13)10-5-2-6-20-10/h1-7H,(H2,15,16,18,19)
InChIKeyMZPNCNITHMAIGD-UHFFFAOYSA-N
MW320.76 g/mol
LogP4.10
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea

1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 741055) has the molecular formula C13H9ClN4O2S and a molecular weight of 320.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID741055
Molecular FormulaC13H9ClN4O2S
Molecular Weight320.76 g/mol
Exact Mass320.01
IUPAC Name1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C13H9ClN4O2S/c14-8-3-1-4-9(7-8)15-12(19)16-13-18-17-11(21-13)10-5-2-6-20-10/h1-7H,(H2,15,16,18,19)
InChIKeyMZPNCNITHMAIGD-UHFFFAOYSA-N
XLogP4.10
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]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

1-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 15993448
1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
CID 734405
2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1403072
1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 19187582
[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
CID 71374888
1-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 167881159
1-(3-chlorophenyl)-3-(5-undecyl-1,3,4-thiadiazol-2-yl)urea
CID 3849762
1-[5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 22510795
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
CID 1418166
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
CID 834850
1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 4672772
1-[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 1420043

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea (CID 741055) is 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is MZPNCNITHMAIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2S/c14-8-3-1-4-9(7-8)15-12(19)16-13-18-17-11(21-13)10-5-2-6-20-10/h1-7H,(H2,15,16,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 320.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 741055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).