N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide

C12H13N3O2S — CID 118544444

IUPACN-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1c(-c2cncs2)[nH]c(C)cc1=O
InChIInChI=1S/C12H13N3O2S/c1-7-3-10(17)9(4-14-8(2)16)12(15-7)11-5-13-6-18-11/h3,5-6H,4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCVRDAEBDQUVDOS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.44
Rot. Bonds3

About N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide

N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide (PubChem CID 118544444) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide
PubChem CID118544444
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1c(-c2cncs2)[nH]c(C)cc1=O
InChIInChI=1S/C12H13N3O2S/c1-7-3-10(17)9(4-14-8(2)16)12(15-7)11-5-13-6-18-11/h3,5-6H,4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCVRDAEBDQUVDOS-UHFFFAOYSA-N
XLogP1.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-but-3-en-2-yl]-2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-3-carboxamide
CID 168205568
5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 58709774
5-(ethylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 71046830
2,2-dimethyl-N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]propanamide
CID 118544308
N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]carbamoyl iodide
CID 132022270
2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one
CID 139374180
5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 143181382
ethane;N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide
CID 144654841
1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea
CID 163867469
4-hydroxy-6-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 175907839
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56814379
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 61280072

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide?
The IUPAC name of N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide (CID 118544444) is N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide is CC(=O)NCc1c(-c2cncs2)[nH]c(C)cc1=O.
What is the InChIKey of N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide?
The InChIKey is CVRDAEBDQUVDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-3-10(17)9(4-14-8(2)16)12(15-7)11-5-13-6-18-11/h3,5-6H,4H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide?
N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 118544444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).