1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea

C12H14N4O2S — CID 3238317

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
SMILESCCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1
InChIInChI=1S/C12H14N4O2S/c1-3-10-15-16-12(19-10)14-11(17)13-8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyOYIXOMRUKSNEOP-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.75
Rot. Bonds4

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea (PubChem CID 3238317) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
PubChem CID3238317
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
SMILESCCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1
InChIInChI=1S/C12H14N4O2S/c1-3-10-15-16-12(19-10)14-11(17)13-8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyOYIXOMRUKSNEOP-UHFFFAOYSA-N
XLogP2.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)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-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2895875
1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 1335305
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 7587123
2-chloro-4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoic acid
CID 107642603
ethyl (2R)-2-[[5-[(4-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate
CID 7587113
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 1420599
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1385010

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea (CID 3238317) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea is CCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is OYIXOMRUKSNEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-10-15-16-12(19-10)14-11(17)13-8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 278.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 3238317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).