N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

C16H16N4O2S2 — CID 646286

IUPACN-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCOCCN(C(=O)Cc1cccs1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C16H16N4O2S2/c1-22-9-8-20(14(21)11-13-3-2-10-23-13)16-19-18-15(24-16)12-4-6-17-7-5-12/h2-7,10H,8-9,11H2,1H3
InChIKeyXHFOCKYIMXIZTB-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.88
Rot. Bonds7

About N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 646286) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID646286
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCOCCN(C(=O)Cc1cccs1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C16H16N4O2S2/c1-22-9-8-20(14(21)11-13-3-2-10-23-13)16-19-18-15(24-16)12-4-6-17-7-5-12/h2-7,10H,8-9,11H2,1H3
InChIKeyXHFOCKYIMXIZTB-UHFFFAOYSA-N
XLogP2.88
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-Methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-2-thiophen-2-yl-acetamide
CID 649676
N-(2-Methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 653096
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
CID 1245524
(E)-N-(2-methoxyethyl)-3-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 5770944
N-(2-Methoxyethyl)-N-[5-(pyridin-3-YL)-1,3,4-thiadiazol-2-YL]pentanamide
CID 3212786
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1246221
Thiophene-2-carboxylic acid ethyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 647461
N-Ethyl-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-2-thiophen-2-yl-acetamide
CID 652124
N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 652991
N-Butyl-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-2-thiophen-2-yl-acetamide
CID 3212811
2-[[2-[[4-(2-Methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2464042
Cyclobutanecarboxylic acid (2-methoxy-ethyl)-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 3212796

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 646286) is N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is COCCN(C(=O)Cc1cccs1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is XHFOCKYIMXIZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-22-9-8-20(14(21)11-13-3-2-10-23-13)16-19-18-15(24-16)12-4-6-17-7-5-12/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 360.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 646286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).