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

C13H16N4O2S — CID 660721

IUPAC1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C13H16N4O2S/c1-8(2)11-16-17-13(20-11)15-12(18)14-9-6-4-5-7-10(9)19-3/h4-8H,1-3H3,(H2,14,15,17,18)
InChIKeyCXGSHGMRWYQWIS-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.31
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 660721) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID660721
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C13H16N4O2S/c1-8(2)11-16-17-13(20-11)15-12(18)14-9-6-4-5-7-10(9)19-3/h4-8H,1-3H3,(H2,14,15,17,18)
InChIKeyCXGSHGMRWYQWIS-UHFFFAOYSA-N
XLogP3.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-5-(2-oxanylmethylthio)-1,3,4-thiadiazol-2-amine
CID 16196311
1-[5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 949458
1-(2-Fluorophenyl)-3-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)urea
CID 950184
1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1362085
1-(4-Fluorophenyl)-3-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]urea
CID 1389244
1-{5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-fluorophenyl)urea
CID 1951470
1-(2-Fluorophenyl)-3-{5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
CID 1075860
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N'-(4-methoxyphenyl)urea
CID 3238317
1-(4-Methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 4622855
N-(4-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 4622858
1-(2-Methoxyphenyl)-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 1965168
1-(2-Methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
CID 2895799

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 660721) is 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea is COc1ccccc1NC(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is CXGSHGMRWYQWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8(2)11-16-17-13(20-11)15-12(18)14-9-6-4-5-7-10(9)19-3/h4-8H,1-3H3,(H2,14,15,17,18).
What are the key properties of 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 292.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 660721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).