4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide

C13H16N4OS — CID 47251913

IUPAC4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(C)CCC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H16N4OS/c1-9(2)6-7-11(18)15-13-17-16-12(19-13)10-5-3-4-8-14-10/h3-5,8-9H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyDYUPWPOJYAKXLY-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.97
Rot. Bonds5

About 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide

4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 47251913) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID47251913
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(C)CCC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H16N4OS/c1-9(2)6-7-11(18)15-13-17-16-12(19-13)10-5-3-4-8-14-10/h3-5,8-9H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyDYUPWPOJYAKXLY-UHFFFAOYSA-N
XLogP2.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
CID 119855706
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55807465
2-(2-butan-2-ylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55810418
2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55807297
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 122134184
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55810195
(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122050500
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide (CID 47251913) is 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide is CC(C)CCC(=O)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is DYUPWPOJYAKXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(2)6-7-11(18)15-13-17-16-12(19-13)10-5-3-4-8-14-10/h3-5,8-9H,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide?
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 276.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 47251913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).