2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione

C15H11ClN2O3S — CID 134116210

IUPAC2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESCOc1ccc(-n2c(=O)sn(-c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C15H11ClN2O3S/c1-21-13-7-5-11(6-8-13)17-14(19)18(22-15(17)20)12-4-2-3-10(16)9-12/h2-9H,1H3
InChIKeyWIGUHUHTSWAVLB-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.71
Rot. Bonds3

About 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione

2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 134116210) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione
PubChem CID134116210
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESCOc1ccc(-n2c(=O)sn(-c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C15H11ClN2O3S/c1-21-13-7-5-11(6-8-13)17-14(19)18(22-15(17)20)12-4-2-3-10(16)9-12/h2-9H,1H3
InChIKeyWIGUHUHTSWAVLB-UHFFFAOYSA-N
XLogP2.71
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 3553310
(5Z)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1284073
3-(3-chlorophenyl)-7-methoxy-4-sulfanylidene-1,3-benzoxazin-2-one
CID 102213228
1-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-methylpyridin-2-one
CID 13416517
(5E)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1286803
5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846317
3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 58007393
(3S,4R)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 68804778
1-(3-chlorophenyl)-2-(4-methoxyphenyl)indol-4-ol
CID 71725275
4-[4-(3-chlorophenoxy)phenyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 90023914
3-(3-chlorophenyl)-8-methoxy-1-[(4-methoxyphenyl)methyl]-5-methylpyrimido[5,4-b]indole-2,4-dione
CID 20914586
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione (CID 134116210) is 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione is COc1ccc(-n2c(=O)sn(-c3cccc(Cl)c3)c2=O)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is WIGUHUHTSWAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c1-21-13-7-5-11(6-8-13)17-14(19)18(22-15(17)20)12-4-2-3-10(16)9-12/h2-9H,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione?
2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 334.78 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 134116210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).