3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one

C12H15N3OS — CID 82527106

IUPAC3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCNc1nc(-c2cccn(C(C)C)c2=O)cs1
InChIInChI=1S/C12H15N3OS/c1-8(2)15-6-4-5-9(11(15)16)10-7-17-12(13-3)14-10/h4-8H,1-3H3,(H,13,14)
InChIKeyZNYKLQKPEBFPAJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.59
Rot. Bonds3

About 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one

3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 82527106) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
PubChem CID82527106
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCNc1nc(-c2cccn(C(C)C)c2=O)cs1
InChIInChI=1S/C12H15N3OS/c1-8(2)15-6-4-5-9(11(15)16)10-7-17-12(13-3)14-10/h4-8H,1-3H3,(H,13,14)
InChIKeyZNYKLQKPEBFPAJ-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
[2-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]methanol
CID 88788468
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one
CID 82526675
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-methyl-4-[2-[2-[2-[2-(methylamino)-1,3-thiazol-4-yl]phenoxy]ethoxy]phenyl]-1,3-thiazol-2-amine
CID 139228012
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526495
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82447779
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526345
6-tert-butyl-3-[2-(methylamino)-1,3-thiazol-4-yl]-1H-pyridin-2-one
CID 82523958
1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526817

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one (CID 82527106) is 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one is CNc1nc(-c2cccn(C(C)C)c2=O)cs1.
What is the InChIKey of 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is ZNYKLQKPEBFPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)15-6-4-5-9(11(15)16)10-7-17-12(13-3)14-10/h4-8H,1-3H3,(H,13,14).
What are the key properties of 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one?
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 249.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82527106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).