N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide

C7H12N4OS — CID 65268106

IUPACN-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCNC(=O)CCNc1nc(C)ns1
InChIInChI=1S/C7H12N4OS/c1-5-10-7(13-11-5)9-4-3-6(12)8-2/h3-4H2,1-2H3,(H,8,12)(H,9,10,11)
InChIKeyCPUQPRVVJZORFC-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.39
Rot. Bonds4

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

N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 65268106) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID65268106
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCNC(=O)CCNc1nc(C)ns1
InChIInChI=1S/C7H12N4OS/c1-5-10-7(13-11-5)9-4-3-6(12)8-2/h3-4H2,1-2H3,(H,8,12)(H,9,10,11)
InChIKeyCPUQPRVVJZORFC-UHFFFAOYSA-N
XLogP0.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 65268106) is N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide is CNC(=O)CCNc1nc(C)ns1.
What is the InChIKey of N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is CPUQPRVVJZORFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-5-10-7(13-11-5)9-4-3-6(12)8-2/h3-4H2,1-2H3,(H,8,12)(H,9,10,11).
What are the key properties of N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 200.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 65268106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).