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

C10H8Cl2N4OS — CID 879248

IUPAC1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C10H8Cl2N4OS/c1-5-15-16-10(18-5)14-9(17)13-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14,16,17)
InChIKeyKKCIUUSCUVLEQK-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.80
Rot. Bonds2

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

1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 879248) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID879248
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C10H8Cl2N4OS/c1-5-15-16-10(18-5)14-9(17)13-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14,16,17)
InChIKeyKKCIUUSCUVLEQK-UHFFFAOYSA-N
XLogP3.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 879248) is 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is KKCIUUSCUVLEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c1-5-15-16-10(18-5)14-9(17)13-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14,16,17).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 303.17 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 879248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).