N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide

C11H17N3O3S — CID 119772335

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C11H17N3O3S/c1-16-5-3-12-6-10(15)14-11-13-8-2-4-17-7-9(8)18-11/h12H,2-7H2,1H3,(H,13,14,15)
InChIKeyVQRANWKEBPGDTQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.39
Rot. Bonds6

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide (PubChem CID 119772335) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
PubChem CID119772335
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C11H17N3O3S/c1-16-5-3-12-6-10(15)14-11-13-8-2-4-17-7-9(8)18-11/h12H,2-7H2,1H3,(H,13,14,15)
InChIKeyVQRANWKEBPGDTQ-UHFFFAOYSA-N
XLogP0.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride
CID 119772312
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119713660
(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide
CID 99821031
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 90543617
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 119317032
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3,4-dimethylbenzamide
CID 90543562
N-(5-ethyl-1,3-thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119755328
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 138025572
3-cyclohexyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 90543548

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide (CID 119772335) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is VQRANWKEBPGDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-16-5-3-12-6-10(15)14-11-13-8-2-4-17-7-9(8)18-11/h12H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119772335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).