5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide

C17H14N4O5S — CID 30864830

IUPAC5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c(OCC(=O)Nc3ccccc3)co2)s1
InChIInChI=1S/C17H14N4O5S/c1-10-20-21-17(27-10)19-16(24)13-7-12(22)14(8-25-13)26-9-15(23)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,23)(H,19,21,24)
InChIKeyBSKDKAKBWIZXQB-UHFFFAOYSA-N
MW386.39 g/mol
LogP2.07
Rot. Bonds6

About 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide

5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide (PubChem CID 30864830) has the molecular formula C17H14N4O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
PubChem CID30864830
Molecular FormulaC17H14N4O5S
Molecular Weight386.39 g/mol
Exact Mass386.07
IUPAC Name5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c(OCC(=O)Nc3ccccc3)co2)s1
InChIInChI=1S/C17H14N4O5S/c1-10-20-21-17(27-10)19-16(24)13-7-12(22)14(8-25-13)26-9-15(23)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,23)(H,19,21,24)
InChIKeyBSKDKAKBWIZXQB-UHFFFAOYSA-N
XLogP2.07
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide with MolForge

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Related Compounds

5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42317250
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
[4-oxo-6-(phenylcarbamoyl)pyran-3-yl] 4-methylbenzenesulfonate
CID 101485712
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26210021
2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 7178264
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
ethyl 1-(2-methylphenyl)-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
CID 43993192
2-(2-propan-2-ylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178841
N-(2-carbamoylphenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227017
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50746907

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The IUPAC name of 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide (CID 30864830) is 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide is Cc1nnc(NC(=O)c2cc(=O)c(OCC(=O)Nc3ccccc3)co2)s1.
What is the InChIKey of 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The InChIKey is BSKDKAKBWIZXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S/c1-10-20-21-17(27-10)19-16(24)13-7-12(22)14(8-25-13)26-9-15(23)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,23)(H,19,21,24).
What are the key properties of 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 30864830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).