1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea

C14H12N4OS — CID 46261971

IUPAC1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc2snnc2c1
InChIInChI=1S/C14H12N4OS/c1-9-4-2-3-5-11(9)16-14(19)15-10-6-7-13-12(8-10)17-18-20-13/h2-8H,1H3,(H2,15,16,19)
InChIKeyGOGGKNHIQAMBKP-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.64
Rot. Bonds2

About 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea

1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea (PubChem CID 46261971) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea
PubChem CID46261971
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc2snnc2c1
InChIInChI=1S/C14H12N4OS/c1-9-4-2-3-5-11(9)16-14(19)15-10-6-7-13-12(8-10)17-18-20-13/h2-8H,1H3,(H2,15,16,19)
InChIKeyGOGGKNHIQAMBKP-UHFFFAOYSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3-benzothiadiazol-5-yl)-3-(2,4-dichlorophenyl)urea
CID 3784740
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(1,2,3-benzothiadiazol-5-yl)-3-(3-nitrophenyl)urea
CID 46261952
N-[5-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385418
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46385355
1-(2-methylphenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83289324
[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
CID 148876031
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea (CID 46261971) is 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc2snnc2c1.
What is the InChIKey of 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea?
The InChIKey is GOGGKNHIQAMBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-4-2-3-5-11(9)16-14(19)15-10-6-7-13-12(8-10)17-18-20-13/h2-8H,1H3,(H2,15,16,19).
What are the key properties of 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea?
1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea has a molecular weight of 284.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 46261971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).