N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide

C13H16N4OS2 — CID 23942363

IUPACN-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nnc(C)s1)C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C13H16N4OS2/c1-4-10(20-13-17-16-9(3)19-13)12(18)15-11-7-8(2)5-6-14-11/h5-7,10H,4H2,1-3H3,(H,14,15,18)
InChIKeyKCVBZBWANLSNKK-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.06
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide

N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide (PubChem CID 23942363) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
PubChem CID23942363
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nnc(C)s1)C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C13H16N4OS2/c1-4-10(20-13-17-16-9(3)19-13)12(18)15-11-7-8(2)5-6-14-11/h5-7,10H,4H2,1-3H3,(H,14,15,18)
InChIKeyKCVBZBWANLSNKK-UHFFFAOYSA-N
XLogP3.06
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide 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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 2952251
(2R)-N-(4-acetylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 834126
N-(4-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 23970277
N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 23970279
3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoylamino]benzoic acid
CID 23886298
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
CID 71847661
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
2-ethyl-N-(4-methyl-2-pyridinyl)hexanamide
CID 4195795
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
CID 23743206
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide (CID 23942363) is N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide is CCC(Sc1nnc(C)s1)C(=O)Nc1cc(C)ccn1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The InChIKey is KCVBZBWANLSNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-4-10(20-13-17-16-9(3)19-13)12(18)15-11-7-8(2)5-6-14-11/h5-7,10H,4H2,1-3H3,(H,14,15,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide has a molecular weight of 308.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 23942363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).