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

C11H12N4OS — CID 845637

IUPACN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C11H12N4OS/c1-2-4-9(16)13-11-15-14-10(17-11)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,15,16)
InChIKeyVXUUSNIUMWDGKE-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.34
Rot. Bonds4

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

N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 845637) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID845637
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C11H12N4OS/c1-2-4-9(16)13-11-15-14-10(17-11)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,15,16)
InChIKeyVXUUSNIUMWDGKE-UHFFFAOYSA-N
XLogP2.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716313
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2359813
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176854
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide
CID 123960518
N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 825391
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-oxo-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide
CID 56970819
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176867
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]-N-propylbutanamide
CID 42736433
3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19256762
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 845637) is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)Nc1nnc(-c2cccnc2)s1.
What is the InChIKey of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is VXUUSNIUMWDGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-4-9(16)13-11-15-14-10(17-11)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,15,16).
What are the key properties of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 248.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 845637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).