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

C18H18N4OS — CID 70695740

IUPACN-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H18N4OS/c1-2-3-12-22(17(23)14-8-5-4-6-9-14)18-21-20-16(24-18)15-10-7-11-19-13-15/h4-11,13H,2-3,12H2,1H3
InChIKeyCIIGENHZFWVEQL-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.05
Rot. Bonds6

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

N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 70695740) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID70695740
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H18N4OS/c1-2-3-12-22(17(23)14-8-5-4-6-9-14)18-21-20-16(24-18)15-10-7-11-19-13-15/h4-11,13H,2-3,12H2,1H3
InChIKeyCIIGENHZFWVEQL-UHFFFAOYSA-N
XLogP4.05
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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)benzamide?
The IUPAC name of N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 70695740) is N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is CIIGENHZFWVEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-3-12-22(17(23)14-8-5-4-6-9-14)18-21-20-16(24-18)15-10-7-11-19-13-15/h4-11,13H,2-3,12H2,1H3.
What are the key properties of N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 338.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 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)benzamide is sourced from PubChem (CID 70695740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).