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

C11H10Cl2N4OS — CID 46998646

IUPAC1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)NCc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H10Cl2N4OS/c1-6-15-11(19-17-6)16-10(18)14-5-7-4-8(12)2-3-9(7)13/h2-4H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyHERKSGSXIUINOR-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.48
Rot. Bonds3

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

1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 46998646) has the molecular formula C11H10Cl2N4OS and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID46998646
Molecular FormulaC11H10Cl2N4OS
Molecular Weight317.20 g/mol
Exact Mass316.00
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)NCc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H10Cl2N4OS/c1-6-15-11(19-17-6)16-10(18)14-5-7-4-8(12)2-3-9(7)13/h2-4H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyHERKSGSXIUINOR-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (CID 46998646) is 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is Cc1nsc(NC(=O)NCc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is HERKSGSXIUINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4OS/c1-6-15-11(19-17-6)16-10(18)14-5-7-4-8(12)2-3-9(7)13/h2-4H,5H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 317.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 46998646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).