2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C8H14N4O2S2 — CID 84561305

IUPAC2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)CSCCN)s1
InChIInChI=1S/C8H14N4O2S2/c1-14-4-7-11-12-8(16-7)10-6(13)5-15-3-2-9/h2-5,9H2,1H3,(H,10,12,13)
InChIKeyMKWUHNGZJKVVJG-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.31
Rot. Bonds7

About 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 84561305) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID84561305
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)CSCCN)s1
InChIInChI=1S/C8H14N4O2S2/c1-14-4-7-11-12-8(16-7)10-6(13)5-15-3-2-9/h2-5,9H2,1H3,(H,10,12,13)
InChIKeyMKWUHNGZJKVVJG-UHFFFAOYSA-N
XLogP0.31
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4597198
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
(2R)-2-chloro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 92660576
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 82210972
3-(4-chlorophenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 108802955
2-(3-cyanopropylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531236
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
CID 847079
3-(2-bromo-4,5-dimethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1406351

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 84561305) is 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)CSCCN)s1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MKWUHNGZJKVVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c1-14-4-7-11-12-8(16-7)10-6(13)5-15-3-2-9/h2-5,9H2,1H3,(H,10,12,13).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 84561305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).