3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide

C7H11BrN4OS — CID 130671272

IUPAC3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide
SMILESCNC(=O)CC(C)Nc1nnc(Br)s1
InChIInChI=1S/C7H11BrN4OS/c1-4(3-5(13)9-2)10-7-12-11-6(8)14-7/h4H,3H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyHEAUXUGOVPLZBQ-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.24
Rot. Bonds4

About 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide

3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide (PubChem CID 130671272) has the molecular formula C7H11BrN4OS and a molecular weight of 279.16 g/mol. Its IUPAC name is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide
PubChem CID130671272
Molecular FormulaC7H11BrN4OS
Molecular Weight279.16 g/mol
Exact Mass277.98
IUPAC Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide
SMILESCNC(=O)CC(C)Nc1nnc(Br)s1
InChIInChI=1S/C7H11BrN4OS/c1-4(3-5(13)9-2)10-7-12-11-6(8)14-7/h4H,3H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyHEAUXUGOVPLZBQ-UHFFFAOYSA-N
XLogP1.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide?
The IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide (CID 130671272) is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide.
What is the SMILES notation for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide?
The canonical SMILES for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide is CNC(=O)CC(C)Nc1nnc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide?
The InChIKey is HEAUXUGOVPLZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4OS/c1-4(3-5(13)9-2)10-7-12-11-6(8)14-7/h4H,3H2,1-2H3,(H,9,13)(H,10,12).
What are the key properties of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide?
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide has a molecular weight of 279.16 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylbutanamide is sourced from PubChem (CID 130671272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).