(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol

C21H27N5O2S — CID 71203396

IUPAC(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESO[C@H](C1=NCCS1)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C21H27N5O2S/c27-19(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/h3-4,12,14-15,19,27H,1-2,5-11,13H2/t15?,19-/m0/s1
InChIKeyWRMNBTQQQRWGJQ-FUBQLUNQSA-N
MW413.55 g/mol
LogP2.19
Rot. Bonds4

About (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol

(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol (PubChem CID 71203396) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
PubChem CID71203396
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESO[C@H](C1=NCCS1)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C21H27N5O2S/c27-19(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/h3-4,12,14-15,19,27H,1-2,5-11,13H2/t15?,19-/m0/s1
InChIKeyWRMNBTQQQRWGJQ-FUBQLUNQSA-N
XLogP2.19
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203426
(R)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
CID 71571150
4-[4-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71203364
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
CID 123428635
4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467982
4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202760
4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467766
6-[hydroxy-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 123268540
N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine
CID 123203019
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol
CID 123272311
4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202759
(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
CID 90417459

Frequently Asked Questions

What is the IUPAC name of (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol (CID 71203396) is (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol is O[C@H](C1=NCCS1)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.
What is the InChIKey of (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The InChIKey is WRMNBTQQQRWGJQ-FUBQLUNQSA-N. The full InChI is InChI=1S/C21H27N5O2S/c27-19(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/h3-4,12,14-15,19,27H,1-2,5-11,13H2/t15?,19-/m0/s1.
What are the key properties of (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol?
(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol has a molecular weight of 413.55 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 71203396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).