1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea

C16H15Cl2N3O3S — CID 30374619

IUPAC1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O3S/c17-14-7-4-12(10-15(14)18)20-16(22)19-11-2-5-13(6-3-11)21-8-1-9-25(21,23)24/h2-7,10H,1,8-9H2,(H2,19,20,22)
InChIKeyYZPQQYGUHKUIDF-UHFFFAOYSA-N
MW400.29 g/mol
LogP4.18
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea

1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea (PubChem CID 30374619) has the molecular formula C16H15Cl2N3O3S and a molecular weight of 400.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea
PubChem CID30374619
Molecular FormulaC16H15Cl2N3O3S
Molecular Weight400.29 g/mol
Exact Mass399.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O3S/c17-14-7-4-12(10-15(14)18)20-16(22)19-11-2-5-13(6-3-11)21-8-1-9-25(21,23)24/h2-7,10H,1,8-9H2,(H2,19,20,22)
InChIKeyYZPQQYGUHKUIDF-UHFFFAOYSA-N
XLogP4.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea (CID 30374619) is 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea?
The InChIKey is YZPQQYGUHKUIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3S/c17-14-7-4-12(10-15(14)18)20-16(22)19-11-2-5-13(6-3-11)21-8-1-9-25(21,23)24/h2-7,10H,1,8-9H2,(H2,19,20,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea?
1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea has a molecular weight of 400.29 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea is sourced from PubChem (CID 30374619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).