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

C18H17ClN4OS — CID 3212805

IUPACN-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H17ClN4OS/c1-2-3-11-23(17(24)13-6-8-15(19)9-7-13)18-22-21-16(25-18)14-5-4-10-20-12-14/h4-10,12H,2-3,11H2,1H3
InChIKeyRETYXXYXGODRSH-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.70
Rot. Bonds6

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

N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 3212805) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID3212805
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC NameN-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H17ClN4OS/c1-2-3-11-23(17(24)13-6-8-15(19)9-7-13)18-22-21-16(25-18)14-5-4-10-20-12-14/h4-10,12H,2-3,11H2,1H3
InChIKeyRETYXXYXGODRSH-UHFFFAOYSA-N
XLogP4.70
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 3212805) is N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RETYXXYXGODRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-2-3-11-23(17(24)13-6-8-15(19)9-7-13)18-22-21-16(25-18)14-5-4-10-20-12-14/h4-10,12H,2-3,11H2,1H3.
What are the key properties of N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 372.88 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 3212805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).