N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine

C19H17Cl2N3OS — CID 7304374

IUPACN,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESClc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2N2CCOCC2)cc1
InChIInChI=1S/C19H17Cl2N3OS/c20-15-3-1-14(2-4-15)18-13-26-19(22-17-7-5-16(21)6-8-17)24(18)23-9-11-25-12-10-23/h1-8,13H,9-12H2/b22-19-
InChIKeyLBZGGIBNXPICNQ-QOCHGBHMSA-N
MW406.34 g/mol
LogP4.72
Rot. Bonds3

About N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine

N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine (PubChem CID 7304374) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine
PubChem CID7304374
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC NameN,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESClc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2N2CCOCC2)cc1
InChIInChI=1S/C19H17Cl2N3OS/c20-15-3-1-14(2-4-15)18-13-26-19(22-17-7-5-16(21)6-8-17)24(18)23-9-11-25-12-10-23/h1-8,13H,9-12H2/b22-19-
InChIKeyLBZGGIBNXPICNQ-QOCHGBHMSA-N
XLogP4.72
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine?
The IUPAC name of N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine (CID 7304374) is N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine?
The canonical SMILES for N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine is Clc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2N2CCOCC2)cc1.
What is the InChIKey of N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine?
The InChIKey is LBZGGIBNXPICNQ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c20-15-3-1-14(2-4-15)18-13-26-19(22-17-7-5-16(21)6-8-17)24(18)23-9-11-25-12-10-23/h1-8,13H,9-12H2/b22-19-.
What are the key properties of N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine?
N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine has a molecular weight of 406.34 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 7304374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).