1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone

C12H13N3OS — CID 107587099

IUPAC1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1cncc(C)c1
InChIInChI=1S/C12H13N3OS/c1-7-4-10(6-13-5-7)14-12-11(9(3)16)8(2)15-17-12/h4-6,14H,1-3H3
InChIKeyAHMIPJDEBFVLQK-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.10
Rot. Bonds3

About 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone (PubChem CID 107587099) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone
PubChem CID107587099
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1cncc(C)c1
InChIInChI=1S/C12H13N3OS/c1-7-4-10(6-13-5-7)14-12-11(9(3)16)8(2)15-17-12/h4-6,14H,1-3H3
InChIKeyAHMIPJDEBFVLQK-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone (CID 107587099) is 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1Nc1cncc(C)c1.
What is the InChIKey of 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is AHMIPJDEBFVLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-4-10(6-13-5-7)14-12-11(9(3)16)8(2)15-17-12/h4-6,14H,1-3H3.
What are the key properties of 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 247.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[(5-methyl-3-pyridinyl)amino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 107587099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).