N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide

C19H24N4O2S — CID 29413460

IUPACN-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide
SMILESCCN1CCc2nc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)sc2C1
InChIInChI=1S/C19H24N4O2S/c1-3-23-10-9-15-16(12-23)26-19(21-15)22-17(24)11-13(2)20-18(25)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,25)(H,21,22,24)/t13-/m1/s1
InChIKeyBLGKWMYBULOMDJ-CYBMUJFWSA-N
MW372.49 g/mol
LogP2.67
Rot. Bonds6

About N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide

N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 29413460) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide
PubChem CID29413460
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide
SMILESCCN1CCc2nc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)sc2C1
InChIInChI=1S/C19H24N4O2S/c1-3-23-10-9-15-16(12-23)26-19(21-15)22-17(24)11-13(2)20-18(25)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,25)(H,21,22,24)/t13-/m1/s1
InChIKeyBLGKWMYBULOMDJ-CYBMUJFWSA-N
XLogP2.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

(3S)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylbutanamide
CID 29412489
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 29413491
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794
3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 119828628
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(2-methylpropyl)benzamide
CID 86977214
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 8550347
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 78840788
2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827061
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide
CID 44975887
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpropanamide
CID 120594561

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide (CID 29413460) is N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide is CCN1CCc2nc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)sc2C1.
What is the InChIKey of N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is BLGKWMYBULOMDJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-23-10-9-15-16(12-23)26-19(21-15)22-17(24)11-13(2)20-18(25)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,25)(H,21,22,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide?
N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 29413460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).