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

C11H11ClN4OS — CID 66634960

IUPAC4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCCl)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C11H11ClN4OS/c12-5-1-4-9(17)14-11-16-15-10(18-11)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2,(H,14,16,17)
InChIKeyVVAXTUCFVOXJGG-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.56
Rot. Bonds5

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

4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 66634960) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID66634960
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCCl)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C11H11ClN4OS/c12-5-1-4-9(17)14-11-16-15-10(18-11)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2,(H,14,16,17)
InChIKeyVVAXTUCFVOXJGG-UHFFFAOYSA-N
XLogP2.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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)butanamide
CID 845637
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2359813
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide
CID 123960518
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
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-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729813
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 55939279
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 66634960) is 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is O=C(CCCCl)Nc1nnc(-c2cccnc2)s1.
What is the InChIKey of 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is VVAXTUCFVOXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-5-1-4-9(17)14-11-16-15-10(18-11)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2,(H,14,16,17).
What are the key properties of 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 282.76 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 66634960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).