1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one

C15H19N5O3S — CID 129344172

IUPAC1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCc1ncsc1C(=O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1
InChIInChI=1S/C15H19N5O3S/c1-10-12(24-9-18-10)14(21)20-5-6-23-11(8-20)7-17-13-15(22)19(2)4-3-16-13/h3-4,9,11H,5-8H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyYRBBIVRTHXCBOG-NSHDSACASA-N
MW349.42 g/mol
LogP0.50
Rot. Bonds4

About 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one

1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one (PubChem CID 129344172) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
PubChem CID129344172
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCc1ncsc1C(=O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1
InChIInChI=1S/C15H19N5O3S/c1-10-12(24-9-18-10)14(21)20-5-6-23-11(8-20)7-17-13-15(22)19(2)4-3-16-13/h3-4,9,11H,5-8H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyYRBBIVRTHXCBOG-NSHDSACASA-N
XLogP0.50
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one (CID 129344172) is 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one is Cc1ncsc1C(=O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1.
What is the InChIKey of 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The InChIKey is YRBBIVRTHXCBOG-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-10-12(24-9-18-10)14(21)20-5-6-23-11(8-20)7-17-13-15(22)19(2)4-3-16-13/h3-4,9,11H,5-8H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one has a molecular weight of 349.42 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 129344172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).