N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

C14H14N2O5S — CID 138025572

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCc1occc(=O)c1OCC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C14H14N2O5S/c1-8-13(10(17)3-5-20-8)21-7-12(18)16-14-15-9-2-4-19-6-11(9)22-14/h3,5H,2,4,6-7H2,1H3,(H,15,16,18)
InChIKeyLZZFWKVMDXWWJY-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.49
Rot. Bonds4

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

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 138025572) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID138025572
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCc1occc(=O)c1OCC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C14H14N2O5S/c1-8-13(10(17)3-5-20-8)21-7-12(18)16-14-15-9-2-4-19-6-11(9)22-14/h3,5H,2,4,6-7H2,1H3,(H,15,16,18)
InChIKeyLZZFWKVMDXWWJY-UHFFFAOYSA-N
XLogP1.49
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 90543617
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride
CID 119772312
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119772335
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 119317032
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
2-(4-ethoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3298902
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(morpholin-4-ylmethyl)phenoxy]acetamide
CID 46978487
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3,4-dimethylbenzamide
CID 90543562
2-(4-tert-butylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17011876
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
3-(2-aminophenyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 120610398
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3630491

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-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 138025572) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is Cc1occc(=O)c1OCC(=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-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is LZZFWKVMDXWWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-8-13(10(17)3-5-20-8)21-7-12(18)16-14-15-9-2-4-19-6-11(9)22-14/h3,5H,2,4,6-7H2,1H3,(H,15,16,18).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 322.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 138025572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).