N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide

C14H18N4O3S — CID 167934339

IUPACN-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1nc2c(s1)C(=O)NC(C)(C)C2
InChIInChI=1S/C14H18N4O3S/c1-5-10(20)18(4)7-9(19)16-13-15-8-6-14(2,3)17-12(21)11(8)22-13/h5H,1,6-7H2,2-4H3,(H,17,21)(H,15,16,19)
InChIKeyAILCDJIDBNWMOU-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.79
Rot. Bonds4

About N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 167934339) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID167934339
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)Nc1nc2c(s1)C(=O)NC(C)(C)C2
InChIInChI=1S/C14H18N4O3S/c1-5-10(20)18(4)7-9(19)16-13-15-8-6-14(2,3)17-12(21)11(8)22-13/h5H,1,6-7H2,2-4H3,(H,17,21)(H,15,16,19)
InChIKeyAILCDJIDBNWMOU-UHFFFAOYSA-N
XLogP0.79
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide (CID 167934339) is N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)Nc1nc2c(s1)C(=O)NC(C)(C)C2.
What is the InChIKey of N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is AILCDJIDBNWMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-5-10(20)18(4)7-9(19)16-13-15-8-6-14(2,3)17-12(21)11(8)22-13/h5H,1,6-7H2,2-4H3,(H,17,21)(H,15,16,19).
What are the key properties of N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 322.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 167934339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).