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

C12H14N4OS — CID 1451754

IUPACN-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)N(C)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H14N4OS/c1-3-4-10(17)16(2)12-15-14-11(18-12)9-5-7-13-8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyWMRTVGWQKIHJQF-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.36
Rot. Bonds4

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

N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1451754) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1451754
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)N(C)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H14N4OS/c1-3-4-10(17)16(2)12-15-14-11(18-12)9-5-7-13-8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyWMRTVGWQKIHJQF-UHFFFAOYSA-N
XLogP2.36
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 1451754) is N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)N(C)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is WMRTVGWQKIHJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-3-4-10(17)16(2)12-15-14-11(18-12)9-5-7-13-8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 262.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1451754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).