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

C12H14N4O2S — CID 881043

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCCc1nnc(NC(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C12H14N4O2S/c1-3-10-15-16-12(19-10)14-11(17)13-8-6-4-5-7-9(8)18-2/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyZLGVEGVDUCGFHL-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.75
Rot. Bonds4

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

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea (PubChem CID 881043) 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-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
PubChem CID881043
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCCc1nnc(NC(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C12H14N4O2S/c1-3-10-15-16-12(19-10)14-11(17)13-8-6-4-5-7-9(8)18-2/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyZLGVEGVDUCGFHL-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

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Related Compounds

1-(2-methoxyphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075779
1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1385139
2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 1075751
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1075856
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 1075855
1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 22509881
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30580999
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1335345
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110439612

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea (CID 881043) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea is CCc1nnc(NC(=O)Nc2ccccc2OC)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is ZLGVEGVDUCGFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-10-15-16-12(19-10)14-11(17)13-8-6-4-5-7-9(8)18-2/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-(2-methoxyphenyl)urea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-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-(2-methoxyphenyl)urea is sourced from PubChem (CID 881043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).