4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole

C43H53Cl3N10O2S2 — CID 159091696

IUPAC4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESC.Clc1nc(Cl)c2ccc(N3CCOCC3)cc2n1.Clc1nc(N2CCCC(Cc3nccs3)C2)c2ccc(N3CCOCC3)cc2n1.c1csc(CC2CCCNC2)n1
InChIInChI=1S/C21H24ClN5OS.C12H11Cl2N3O.C9H14N2S.CH4/c22-21-24-18-13-16(26-7-9-28-10-8-26)3-4-17(18)20(25-21)27-6-1-2-15(14-27)12-19-23-5-11-29-19;13-11-9-2-1-8(17-3-5-18-6-4-17)7-10(9)15-12(14)16-11;1-2-8(7-10-3-1)6-9-11-4-5-12-9;/h3-5,11,13,15H,1-2,6-10,12,14H2;1-2,7H,3-6H2;4-5,8,10H,1-3,6-7H2;1H4
InChIKeyKCDKZTHLZRESNA-UHFFFAOYSA-N
MW912.46 g/mol
LogP9.13
Rot. Bonds7

About 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole

4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole (PubChem CID 159091696) has the molecular formula C43H53Cl3N10O2S2 and a molecular weight of 912.46 g/mol. Its IUPAC name is 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole
PubChem CID159091696
Molecular FormulaC43H53Cl3N10O2S2
Molecular Weight912.46 g/mol
Exact Mass910.29
IUPAC Name4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESC.Clc1nc(Cl)c2ccc(N3CCOCC3)cc2n1.Clc1nc(N2CCCC(Cc3nccs3)C2)c2ccc(N3CCOCC3)cc2n1.c1csc(CC2CCCNC2)n1
InChIInChI=1S/C21H24ClN5OS.C12H11Cl2N3O.C9H14N2S.CH4/c22-21-24-18-13-16(26-7-9-28-10-8-26)3-4-17(18)20(25-21)27-6-1-2-15(14-27)12-19-23-5-11-29-19;13-11-9-2-1-8(17-3-5-18-6-4-17)7-10(9)15-12(14)16-11;1-2-8(7-10-3-1)6-9-11-4-5-12-9;/h3-5,11,13,15H,1-2,6-10,12,14H2;1-2,7H,3-6H2;4-5,8,10H,1-3,6-7H2;1H4
InChIKeyKCDKZTHLZRESNA-UHFFFAOYSA-N
XLogP9.13
TPSA117.55 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500912.46
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole (CID 159091696) is 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole is C.Clc1nc(Cl)c2ccc(N3CCOCC3)cc2n1.Clc1nc(N2CCCC(Cc3nccs3)C2)c2ccc(N3CCOCC3)cc2n1.c1csc(CC2CCCNC2)n1.
What is the InChIKey of 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is KCDKZTHLZRESNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5OS.C12H11Cl2N3O.C9H14N2S.CH4/c22-21-24-18-13-16(26-7-9-28-10-8-26)3-4-17(18)20(25-21)27-6-1-2-15(14-27)12-19-23-5-11-29-19;13-11-9-2-1-8(17-3-5-18-6-4-17)7-10(9)15-12(14)16-11;1-2-8(7-10-3-1)6-9-11-4-5-12-9;/h3-5,11,13,15H,1-2,6-10,12,14H2;1-2,7H,3-6H2;4-5,8,10H,1-3,6-7H2;1H4.
What are the key properties of 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole?
4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 912.46 g/mol, XLogP of 9.13, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-(2,4-dichloroquinazolin-7-yl)morpholine;methane;2-(piperidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 159091696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).