7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H17N5OS — CID 124754286

IUPAC7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC[C@@H](Cc1cnccn1)N(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H17N5OS/c1-11(7-12-9-16-3-4-17-12)19(2)10-13-8-14(21)20-5-6-22-15(20)18-13/h3-6,8-9,11H,7,10H2,1-2H3/t11-/m0/s1
InChIKeyNQXVUPWGCWFOTF-NSHDSACASA-N
MW315.40 g/mol
LogP1.61
Rot. Bonds5

About 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 124754286) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID124754286
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC[C@@H](Cc1cnccn1)N(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H17N5OS/c1-11(7-12-9-16-3-4-17-12)19(2)10-13-8-14(21)20-5-6-22-15(20)18-13/h3-6,8-9,11H,7,10H2,1-2H3/t11-/m0/s1
InChIKeyNQXVUPWGCWFOTF-NSHDSACASA-N
XLogP1.61
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62332981
N-ethyl-N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 134063399
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid
CID 60840671
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
7-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51655644
N-(1-aminopropan-2-yl)-N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 119582961
7-[[methyl-(4-methylcyclohexyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47113217
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284
7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119928870
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009

Frequently Asked Questions

What is the IUPAC name of 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 124754286) is 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C[C@@H](Cc1cnccn1)N(C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NQXVUPWGCWFOTF-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5OS/c1-11(7-12-9-16-3-4-17-12)19(2)10-13-8-14(21)20-5-6-22-15(20)18-13/h3-6,8-9,11H,7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 315.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 124754286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).