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

C20H20ClN3O2S — CID 8669889

IUPACN-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESCOc1cccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2N2CCOCC2)c1
InChIInChI=1S/C20H20ClN3O2S/c1-25-18-4-2-3-15(13-18)19-14-27-20(22-17-7-5-16(21)6-8-17)24(19)23-9-11-26-12-10-23/h2-8,13-14H,9-12H2,1H3/b22-20-
InChIKeyIXNFRZPONMRLDS-XDOYNYLZSA-N
MW401.92 g/mol
LogP4.08
Rot. Bonds4

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

N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine (PubChem CID 8669889) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine
PubChem CID8669889
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC NameN-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESCOc1cccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2N2CCOCC2)c1
InChIInChI=1S/C20H20ClN3O2S/c1-25-18-4-2-3-15(13-18)19-14-27-20(22-17-7-5-16(21)6-8-17)24(19)23-9-11-26-12-10-23/h2-8,13-14H,9-12H2,1H3/b22-20-
InChIKeyIXNFRZPONMRLDS-XDOYNYLZSA-N
XLogP4.08
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine (CID 8669889) is N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine is COc1cccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2N2CCOCC2)c1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine?
The InChIKey is IXNFRZPONMRLDS-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-25-18-4-2-3-15(13-18)19-14-27-20(22-17-7-5-16(21)6-8-17)24(19)23-9-11-26-12-10-23/h2-8,13-14H,9-12H2,1H3/b22-20-.
What are the key properties of N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine?
N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine has a molecular weight of 401.92 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 8669889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).