N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide

C7H12N4OS — CID 43664056

IUPACN-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
SMILESCC(=O)NCCNCc1csnn1
InChIInChI=1S/C7H12N4OS/c1-6(12)9-3-2-8-4-7-5-13-11-10-7/h5,8H,2-4H2,1H3,(H,9,12)
InChIKeyNBRJTBJTRBYWGD-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.24
Rot. Bonds5

About N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide

N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide (PubChem CID 43664056) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
PubChem CID43664056
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
SMILESCC(=O)NCCNCc1csnn1
InChIInChI=1S/C7H12N4OS/c1-6(12)9-3-2-8-4-7-5-13-11-10-7/h5,8H,2-4H2,1H3,(H,9,12)
InChIKeyNBRJTBJTRBYWGD-UHFFFAOYSA-N
XLogP-0.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664030
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63983801
3-(thiadiazol-4-ylmethylamino)propanenitrile
CID 43664080
1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 115587369
N-[2-(pyrazin-2-ylmethylamino)ethyl]acetamide
CID 62763041
1-phenyl-3-(thiadiazol-4-ylmethyl)urea
CID 174441234
2-butoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 61169519
3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide
CID 130900473
N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 115906003
1-piperidin-1-yl-2-(thiadiazol-4-ylmethylamino)ethanone
CID 115587343
N-[4-(thiadiazol-4-yl)hexyl]acetamide
CID 174841417
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide (CID 43664056) is N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide is CC(=O)NCCNCc1csnn1.
What is the InChIKey of N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide?
The InChIKey is NBRJTBJTRBYWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-6(12)9-3-2-8-4-7-5-13-11-10-7/h5,8H,2-4H2,1H3,(H,9,12).
What are the key properties of N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide?
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide has a molecular weight of 200.27 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 43664056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).