N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide

C7H9N3OS — CID 130879609

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nnc(C)s1
InChIInChI=1S/C7H9N3OS/c1-3-6(11)8-4-7-10-9-5(2)12-7/h3H,1,4H2,2H3,(H,8,11)
InChIKeyAASJMOOELZVJCW-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.65
Rot. Bonds3

About N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide (PubChem CID 130879609) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide
PubChem CID130879609
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nnc(C)s1
InChIInChI=1S/C7H9N3OS/c1-3-6(11)8-4-7-10-9-5(2)12-7/h3H,1,4H2,2H3,(H,8,11)
InChIKeyAASJMOOELZVJCW-UHFFFAOYSA-N
XLogP0.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide (CID 130879609) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide is C=CC(=O)NCc1nnc(C)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide?
The InChIKey is AASJMOOELZVJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-3-6(11)8-4-7-10-9-5(2)12-7/h3H,1,4H2,2H3,(H,8,11).
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide has a molecular weight of 183.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 130879609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).