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

C19H20N4OS — CID 3212803

IUPACN-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C19H20N4OS/c1-3-4-12-23(18(24)15-9-7-14(2)8-10-15)19-22-21-17(25-19)16-6-5-11-20-13-16/h5-11,13H,3-4,12H2,1-2H3
InChIKeyMANHLTBAQMSMGL-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.36
Rot. Bonds6

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

N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 3212803) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID3212803
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C19H20N4OS/c1-3-4-12-23(18(24)15-9-7-14(2)8-10-15)19-22-21-17(25-19)16-6-5-11-20-13-16/h5-11,13H,3-4,12H2,1-2H3
InChIKeyMANHLTBAQMSMGL-UHFFFAOYSA-N
XLogP4.36
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 3212803) is N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MANHLTBAQMSMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-3-4-12-23(18(24)15-9-7-14(2)8-10-15)19-22-21-17(25-19)16-6-5-11-20-13-16/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 352.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 3212803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).