5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine

C18H17ClN4O2S2 — CID 133471957

IUPAC5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESO=S1(=O)CCCN1c1cccc(CNc2nnc(-c3ccccc3Cl)s2)c1
InChIInChI=1S/C18H17ClN4O2S2/c19-16-8-2-1-7-15(16)17-21-22-18(26-17)20-12-13-5-3-6-14(11-13)23-9-4-10-27(23,24)25/h1-3,5-8,11H,4,9-10,12H2,(H,20,22)
InChIKeyPHYGRRZDAHGZQP-UHFFFAOYSA-N
MW420.95 g/mol
LogP4.01
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine

5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133471957) has the molecular formula C18H17ClN4O2S2 and a molecular weight of 420.95 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133471957
Molecular FormulaC18H17ClN4O2S2
Molecular Weight420.95 g/mol
Exact Mass420.05
IUPAC Name5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESO=S1(=O)CCCN1c1cccc(CNc2nnc(-c3ccccc3Cl)s2)c1
InChIInChI=1S/C18H17ClN4O2S2/c19-16-8-2-1-7-15(16)17-21-22-18(26-17)20-12-13-5-3-6-14(11-13)23-9-4-10-27(23,24)25/h1-3,5-8,11H,4,9-10,12H2,(H,20,22)
InChIKeyPHYGRRZDAHGZQP-UHFFFAOYSA-N
XLogP4.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine (CID 133471957) is 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine is O=S1(=O)CCCN1c1cccc(CNc2nnc(-c3ccccc3Cl)s2)c1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PHYGRRZDAHGZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S2/c19-16-8-2-1-7-15(16)17-21-22-18(26-17)20-12-13-5-3-6-14(11-13)23-9-4-10-27(23,24)25/h1-3,5-8,11H,4,9-10,12H2,(H,20,22).
What are the key properties of 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 420.95 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133471957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).