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

C10H10N4OS — CID 1247371

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C10H10N4OS/c1-2-8(15)12-10-14-13-9(16-10)7-3-5-11-6-4-7/h3-6H,2H2,1H3,(H,12,14,15)
InChIKeyLEBVQVIOXIIKCJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.95
Rot. Bonds3

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

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 1247371) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID1247371
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C10H10N4OS/c1-2-8(15)12-10-14-13-9(16-10)7-3-5-11-6-4-7/h3-6H,2H2,1H3,(H,12,14,15)
InChIKeyLEBVQVIOXIIKCJ-UHFFFAOYSA-N
XLogP1.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 1247371) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is CCC(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is LEBVQVIOXIIKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-2-8(15)12-10-14-13-9(16-10)7-3-5-11-6-4-7/h3-6H,2H2,1H3,(H,12,14,15).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 234.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 1247371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).