N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

C15H18N4O4S — CID 170508266

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCCc1nnc(N)s1
InChIInChI=1S/C15H18N4O4S/c1-8-7-10(9-3-2-6-22-9)23-14(21)12(8)13(20)17-5-4-11-18-19-15(16)24-11/h7,9H,2-6H2,1H3,(H2,16,19)(H,17,20)
InChIKeyHHNWJYADADRWGA-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.21
Rot. Bonds5

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (PubChem CID 170508266) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
PubChem CID170508266
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCCc1nnc(N)s1
InChIInChI=1S/C15H18N4O4S/c1-8-7-10(9-3-2-6-22-9)23-14(21)12(8)13(20)17-5-4-11-18-19-15(16)24-11/h7,9H,2-6H2,1H3,(H2,16,19)(H,17,20)
InChIKeyHHNWJYADADRWGA-UHFFFAOYSA-N
XLogP1.21
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507077
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170505635
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 92659592
N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170504391
N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507768
4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide
CID 170505604
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,5-dinitrobenzamide
CID 92659476
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
CID 170502685
4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170502476
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
4-methyl-6-(oxan-4-yl)-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyran-3-carboxamide
CID 170513109

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (CID 170508266) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is Cc1cc(C2CCCO2)oc(=O)c1C(=O)NCCc1nnc(N)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The InChIKey is HHNWJYADADRWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-8-7-10(9-3-2-6-22-9)23-14(21)12(8)13(20)17-5-4-11-18-19-15(16)24-11/h7,9H,2-6H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is sourced from PubChem (CID 170508266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).