3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide

C15H19N3O2S2 — CID 74235486

IUPAC3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCSCc1nc(CNC(=O)CCn2c(C)cccc2=O)cs1
InChIInChI=1S/C15H19N3O2S2/c1-11-4-3-5-15(20)18(11)7-6-13(19)16-8-12-9-22-14(17-12)10-21-2/h3-5,9H,6-8,10H2,1-2H3,(H,16,19)
InChIKeyMGPMPEYIZVSLFD-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.18
Rot. Bonds7

About 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide

3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 74235486) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID74235486
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCSCc1nc(CNC(=O)CCn2c(C)cccc2=O)cs1
InChIInChI=1S/C15H19N3O2S2/c1-11-4-3-5-15(20)18(11)7-6-13(19)16-8-12-9-22-14(17-12)10-21-2/h3-5,9H,6-8,10H2,1-2H3,(H,16,19)
InChIKeyMGPMPEYIZVSLFD-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74248825
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
CID 126437741
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 122568013
(4S)-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 99929525
N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 82032029
2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 72859862
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 118774071
1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172666720
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea
CID 72887007
3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61283822
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide;hydrochloride
CID 154894179

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide (CID 74235486) is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide is CSCc1nc(CNC(=O)CCn2c(C)cccc2=O)cs1.
What is the InChIKey of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is MGPMPEYIZVSLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-4-3-5-15(20)18(11)7-6-13(19)16-8-12-9-22-14(17-12)10-21-2/h3-5,9H,6-8,10H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide?
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 74235486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).