3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C20H24N4O2S — CID 9451764

IUPAC3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN[C@@H](CN3CCOCC3)c3ccccc3)cc(=O)n12
InChIInChI=1S/C20H24N4O2S/c1-15-14-27-20-22-17(11-19(25)24(15)20)12-21-18(16-5-3-2-4-6-16)13-23-7-9-26-10-8-23/h2-6,11,14,18,21H,7-10,12-13H2,1H3/t18-/m0/s1
InChIKeyFTQFFQLMQOSXHX-SFHVURJKSA-N
MW384.51 g/mol
LogP2.23
Rot. Bonds6

About 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 9451764) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID9451764
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN[C@@H](CN3CCOCC3)c3ccccc3)cc(=O)n12
InChIInChI=1S/C20H24N4O2S/c1-15-14-27-20-22-17(11-19(25)24(15)20)12-21-18(16-5-3-2-4-6-16)13-23-7-9-26-10-8-23/h2-6,11,14,18,21H,7-10,12-13H2,1H3/t18-/m0/s1
InChIKeyFTQFFQLMQOSXHX-SFHVURJKSA-N
XLogP2.23
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-[[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51471583
7-[[1-(3-fluorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47005785
2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 62696181
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 97333489
7-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86789516
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
7-[[(2S)-2-hydroxy-2-phenylethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 94805990
7-[[2,4-di(propan-2-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56808662
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9150618
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 167790337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 9451764) is 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN[C@@H](CN3CCOCC3)c3ccccc3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FTQFFQLMQOSXHX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15-14-27-20-22-17(11-19(25)24(15)20)12-21-18(16-5-3-2-4-6-16)13-23-7-9-26-10-8-23/h2-6,11,14,18,21H,7-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 384.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 9451764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).