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

C12H14N4OS — CID 931426

IUPAC1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1
InChIInChI=1S/C12H14N4OS/c1-7-4-5-10(6-8(7)2)13-11(17)14-12-16-15-9(3)18-12/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyMLWXMJOCGAEVEB-UHFFFAOYSA-N
MW262.34 g/mol
LogP3.11
Rot. Bonds2

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

1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 931426) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID931426
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1
InChIInChI=1S/C12H14N4OS/c1-7-4-5-10(6-8(7)2)13-11(17)14-12-16-15-9(3)18-12/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyMLWXMJOCGAEVEB-UHFFFAOYSA-N
XLogP3.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 944946
1-Phenyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea
CID 794903
1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 940392
1-[5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 881236
1-[5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 948749
1-[5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 948803
1-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)urea
CID 2476754
1-(3,4-Dimethylphenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 883778
N-(4-ethylphenyl)-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 941605
1-(2,6-Diisopropyl-phenyl)-3-(5-undecyl-[1,3,4]thiadiazol-2-yl)-urea
CID 10527891
1-[5-(2-Fluoro-benzyl)-[1,3,4]thiadiazol-2-yl]-3-phenyl-urea
CID 784938
1-(5-Benzyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea
CID 881215

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 931426) is 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is MLWXMJOCGAEVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-4-5-10(6-8(7)2)13-11(17)14-12-16-15-9(3)18-12/h4-6H,1-3H3,(H2,13,14,16,17).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 262.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 931426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).