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

C8H14N4OS — CID 65267803

IUPACN,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCc1nsc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C8H14N4OS/c1-6-10-8(14-11-6)9-5-4-7(13)12(2)3/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyKXVUXWQYCMZNBZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.74
Rot. Bonds4

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

N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 65267803) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID65267803
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCc1nsc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C8H14N4OS/c1-6-10-8(14-11-6)9-5-4-7(13)12(2)3/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyKXVUXWQYCMZNBZ-UHFFFAOYSA-N
XLogP0.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 65267803) is N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide is Cc1nsc(NCCC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is KXVUXWQYCMZNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-6-10-8(14-11-6)9-5-4-7(13)12(2)3/h4-5H2,1-3H3,(H,9,10,11).
What are the key properties of N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 65267803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).