1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea

C11H9ClN4O3S — CID 57210374

IUPAC1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(Oc2nsnc(Cl)c2=O)cc1
InChIInChI=1S/C11H9ClN4O3S/c1-13-11(18)14-6-2-4-7(5-3-6)19-10-8(17)9(12)15-20-16-10/h2-5H,1H3,(H2,13,14,18)
InChIKeyJJTGDUSJWOHILA-UHFFFAOYSA-N
MW312.74 g/mol
LogP2.10
Rot. Bonds3

About 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea

1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea (PubChem CID 57210374) has the molecular formula C11H9ClN4O3S and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea
PubChem CID57210374
Molecular FormulaC11H9ClN4O3S
Molecular Weight312.74 g/mol
Exact Mass312.01
IUPAC Name1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(Oc2nsnc(Cl)c2=O)cc1
InChIInChI=1S/C11H9ClN4O3S/c1-13-11(18)14-6-2-4-7(5-3-6)19-10-8(17)9(12)15-20-16-10/h2-5H,1H3,(H2,13,14,18)
InChIKeyJJTGDUSJWOHILA-UHFFFAOYSA-N
XLogP2.10
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(4-fluorophenoxy)-1,2,6-thiadiazin-4-one
CID 15593692
N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 139753885
ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea
CID 158609396
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea
CID 54303648
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
methyl 2-(4-acetamidophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 133424442
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
CID 61324339
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea (CID 57210374) is 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea is CNC(=O)Nc1ccc(Oc2nsnc(Cl)c2=O)cc1.
What is the InChIKey of 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea?
The InChIKey is JJTGDUSJWOHILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3S/c1-13-11(18)14-6-2-4-7(5-3-6)19-10-8(17)9(12)15-20-16-10/h2-5H,1H3,(H2,13,14,18).
What are the key properties of 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea?
1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea has a molecular weight of 312.74 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea is sourced from PubChem (CID 57210374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).