1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea

C13H16N4O3S — CID 70036732

IUPAC1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1cc(OC)c(N(C(N)=O)c2nnc(C)s2)cc1C
InChIInChI=1S/C13H16N4O3S/c1-7-5-9(11(20-4)6-10(7)19-3)17(12(14)18)13-16-15-8(2)21-13/h5-6H,1-4H3,(H2,14,18)
InChIKeyQATHFNCTLJOOJK-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.39
Rot. Bonds4

About 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea

1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 70036732) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID70036732
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1cc(OC)c(N(C(N)=O)c2nnc(C)s2)cc1C
InChIInChI=1S/C13H16N4O3S/c1-7-5-9(11(20-4)6-10(7)19-3)17(12(14)18)13-16-15-8(2)21-13/h5-6H,1-4H3,(H2,14,18)
InChIKeyQATHFNCTLJOOJK-UHFFFAOYSA-N
XLogP2.39
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 70036869
1-(2,4-dimethoxy-5-methylphenyl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 70038804
1-(2-chloro-4-methoxy-5-methylphenyl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 70036846
1-methyl-1-(2,4,5-trimethoxyphenyl)urea
CID 115168286
2,5-dimethoxy-4-methylbenzamide
CID 82491295
N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)urea
CID 70038811
1-(3-methoxynaphthalen-2-yl)-1-(4-methylphenyl)urea
CID 70896646
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
1-(5-bromo-2,4-dimethoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 11406150
2-hydroxy-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115178640
methyl 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 65208279

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 70036732) is 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea is COc1cc(OC)c(N(C(N)=O)c2nnc(C)s2)cc1C.
What is the InChIKey of 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is QATHFNCTLJOOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-7-5-9(11(20-4)6-10(7)19-3)17(12(14)18)13-16-15-8(2)21-13/h5-6H,1-4H3,(H2,14,18).
What are the key properties of 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 308.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-5-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 70036732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).