4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one

C13H17N3OS — CID 62464559

IUPAC4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one
SMILESCCCNc1ncccc1Cn1c(C)csc1=O
InChIInChI=1S/C13H17N3OS/c1-3-6-14-12-11(5-4-7-15-12)8-16-10(2)9-18-13(16)17/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyCRWBRPXRARAOJK-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.48
Rot. Bonds5

About 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one

4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one (PubChem CID 62464559) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one
PubChem CID62464559
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one
SMILESCCCNc1ncccc1Cn1c(C)csc1=O
InChIInChI=1S/C13H17N3OS/c1-3-6-14-12-11(5-4-7-15-12)8-16-10(2)9-18-13(16)17/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyCRWBRPXRARAOJK-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one (CID 62464559) is 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one is CCCNc1ncccc1Cn1c(C)csc1=O.
What is the InChIKey of 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one?
The InChIKey is CRWBRPXRARAOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-6-14-12-11(5-4-7-15-12)8-16-10(2)9-18-13(16)17/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one?
4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 62464559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).