2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol

C106H124N26O9S5 — CID 159058762

IUPAC2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
SMILESN#Cc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.O[C@@H](c1nccs1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@@H](c1nccs1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@H](c1nccs1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@H](c1nccs1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C22H24N6OS.4C21H25N5O2S/c23-12-18-13-24-21(30-18)10-16-2-1-5-28(14-16)22-19-4-3-17(11-20(19)25-15-26-22)27-6-8-29-9-7-27;4*27-19(21-22-5-11-29-21)15-2-1-6-26(13-15)20-17-4-3-16(12-18(17)23-14-24-20)25-7-9-28-10-8-25/h3-4,11,13,15-16H,1-2,5-10,14H2;4*3-5,11-12,14-15,19,27H,1-2,6-10,13H2/t;2*15-,19+;2*15-,19-/m.1010/s1
InChIKeyJYEQTHDIWFFBDO-RPIATRDPSA-N
MW2066.67 g/mol
LogP14.75
Rot. Bonds20

About 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol

2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol (PubChem CID 159058762) has the molecular formula C106H124N26O9S5 and a molecular weight of 2066.67 g/mol. Its IUPAC name is 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
PubChem CID159058762
Molecular FormulaC106H124N26O9S5
Molecular Weight2066.67 g/mol
Exact Mass2064.86
IUPAC Name2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
SMILESN#Cc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.O[C@@H](c1nccs1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@@H](c1nccs1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@H](c1nccs1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@H](c1nccs1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C22H24N6OS.4C21H25N5O2S/c23-12-18-13-24-21(30-18)10-16-2-1-5-28(14-16)22-19-4-3-17(11-20(19)25-15-26-22)27-6-8-29-9-7-27;4*27-19(21-22-5-11-29-21)15-2-1-6-26(13-15)20-17-4-3-16(12-18(17)23-14-24-20)25-7-9-28-10-8-25/h3-4,11,13,15-16H,1-2,5-10,14H2;4*3-5,11-12,14-15,19,27H,1-2,6-10,13H2/t;2*15-,19+;2*15-,19-/m.1010/s1
InChIKeyJYEQTHDIWFFBDO-RPIATRDPSA-N
XLogP14.75
TPSA376.61 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.67
LogP ≤ 514.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol (CID 159058762) is 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol is N#Cc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.O[C@@H](c1nccs1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@@H](c1nccs1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@H](c1nccs1)[C@@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.O[C@H](c1nccs1)[C@H]1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.
What is the InChIKey of 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is JYEQTHDIWFFBDO-RPIATRDPSA-N. The full InChI is InChI=1S/C22H24N6OS.4C21H25N5O2S/c23-12-18-13-24-21(30-18)10-16-2-1-5-28(14-16)22-19-4-3-17(11-20(19)25-15-26-22)27-6-8-29-9-7-27;4*27-19(21-22-5-11-29-21)15-2-1-6-26(13-15)20-17-4-3-16(12-18(17)23-14-24-20)25-7-9-28-10-8-25/h3-4,11,13,15-16H,1-2,5-10,14H2;4*3-5,11-12,14-15,19,27H,1-2,6-10,13H2/t;2*15-,19+;2*15-,19-/m.1010/s1.
What are the key properties of 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol?
2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 2066.67 g/mol, XLogP of 14.75, 20 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carbonitrile;(S)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3S)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(S)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol;(R)-[(3R)-1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 159058762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).