N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

C17H18N4OS2 — CID 3212811

IUPACN-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCCCCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H18N4OS2/c1-2-3-9-21(15(22)11-14-7-5-10-23-14)17-20-19-16(24-17)13-6-4-8-18-12-13/h4-8,10,12H,2-3,9,11H2,1H3
InChIKeyWMEGOPLZTVVYHS-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.04
Rot. Bonds7

About N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 3212811) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID3212811
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCCCCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H18N4OS2/c1-2-3-9-21(15(22)11-14-7-5-10-23-14)17-20-19-16(24-17)13-6-4-8-18-12-13/h4-8,10,12H,2-3,9,11H2,1H3
InChIKeyWMEGOPLZTVVYHS-UHFFFAOYSA-N
XLogP4.04
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 3212811) is N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is CCCCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is WMEGOPLZTVVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-2-3-9-21(15(22)11-14-7-5-10-23-14)17-20-19-16(24-17)13-6-4-8-18-12-13/h4-8,10,12H,2-3,9,11H2,1H3.
What are the key properties of N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 358.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3212811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).