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

C9H15N3OS — CID 825378

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C9H15N3OS/c1-4-7(13)10-9-12-11-8(14-9)5-6(2)3/h6H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyAYOMCHDQFLKFLE-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.09
Rot. Bonds4

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 825378) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID825378
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C9H15N3OS/c1-4-7(13)10-9-12-11-8(14-9)5-6(2)3/h6H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyAYOMCHDQFLKFLE-UHFFFAOYSA-N
XLogP2.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110459577
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8750173
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 19164251
7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
CID 119677029
3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]pentanoic acid
CID 106262242
N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3584343
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 825378) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is AYOMCHDQFLKFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-4-7(13)10-9-12-11-8(14-9)5-6(2)3/h6H,4-5H2,1-3H3,(H,10,12,13).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 213.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 825378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).