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

C12H14N4OS — CID 3791124

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H14N4OS/c1-2-3-4-10(17)14-12-16-15-11(18-12)9-5-7-13-8-6-9/h5-8H,2-4H2,1H3,(H,14,16,17)
InChIKeyKAELRYPXJNSFDP-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.73
Rot. Bonds5

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

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 3791124) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID3791124
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H14N4OS/c1-2-3-4-10(17)14-12-16-15-11(18-12)9-5-7-13-8-6-9/h5-8H,2-4H2,1H3,(H,14,16,17)
InChIKeyKAELRYPXJNSFDP-UHFFFAOYSA-N
XLogP2.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.73
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)pentanamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide (CID 3791124) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide is CCCCC(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is KAELRYPXJNSFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-3-4-10(17)14-12-16-15-11(18-12)9-5-7-13-8-6-9/h5-8H,2-4H2,1H3,(H,14,16,17).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 262.34 g/mol, XLogP of 2.73, 5 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)pentanamide is sourced from PubChem (CID 3791124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).