3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one

C12H16N4OS — CID 62940210

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2csc(C)n2)c1=O
InChIInChI=1S/C12H16N4OS/c1-3-5-16-6-4-13-11(12(16)17)14-7-10-8-18-9(2)15-10/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyQBUCFGGMTVISTP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.03
Rot. Bonds5

About 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one

3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one (PubChem CID 62940210) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one
PubChem CID62940210
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2csc(C)n2)c1=O
InChIInChI=1S/C12H16N4OS/c1-3-5-16-6-4-13-11(12(16)17)14-7-10-8-18-9(2)15-10/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyQBUCFGGMTVISTP-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one (CID 62940210) is 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2csc(C)n2)c1=O.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is QBUCFGGMTVISTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-5-16-6-4-13-11(12(16)17)14-7-10-8-18-9(2)15-10/h4,6,8H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one?
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 264.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62940210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).