2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide

C9H16N4OS — CID 43663987

IUPAC2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCCNCc1csnn1
InChIInChI=1S/C9H16N4OS/c1-7(2)9(14)11-4-3-10-5-8-6-15-13-12-8/h6-7,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyCBGCPRUDLQCXHO-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.40
Rot. Bonds6

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

2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide (PubChem CID 43663987) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide
PubChem CID43663987
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCCNCc1csnn1
InChIInChI=1S/C9H16N4OS/c1-7(2)9(14)11-4-3-10-5-8-6-15-13-12-8/h6-7,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyCBGCPRUDLQCXHO-UHFFFAOYSA-N
XLogP0.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.40
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

N-ethylthiadiazole-4-carboxamide
CID 274291
2-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)propanamide
CID 131097805
N-propan-2-ylthiadiazole-4-carboxamide
CID 57732611
N-butylthiadiazole-4-carboxamide
CID 57957601
N-butylthiadiazole-4-carboxamide;propane
CID 161836508
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 4994338
N-(2-methylpropyl)thiadiazole-4-carboxamide
CID 35763707
2-(Thiadiazol-4-ylmethylamino)acetamide
CID 43663775
1-Pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 43663995
3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664048
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
N-methyl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide (CID 43663987) is 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide is CC(C)C(=O)NCCNCc1csnn1.
What is the InChIKey of 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide?
The InChIKey is CBGCPRUDLQCXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-7(2)9(14)11-4-3-10-5-8-6-15-13-12-8/h6-7,10H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide?
2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide has a molecular weight of 228.32 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide is sourced from PubChem (CID 43663987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).