N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide

C17H14ClN3OS — CID 12881532

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H14ClN3OS/c1-10-4-3-5-11(2)14(10)15(22)19-17-21-20-16(23-17)12-6-8-13(18)9-7-12/h3-9H,1-2H3,(H,19,21,22)
InChIKeySLVMSTQNCGGXCU-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.73
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide (PubChem CID 12881532) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide
PubChem CID12881532
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H14ClN3OS/c1-10-4-3-5-11(2)14(10)15(22)19-17-21-20-16(23-17)12-6-8-13(18)9-7-12/h3-9H,1-2H3,(H,19,21,22)
InChIKeySLVMSTQNCGGXCU-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
N-[5-(4-Methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 569511
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 800213
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 1004973
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 1123721
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 1123723
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-naphthamide
CID 5173408
N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 7946867
N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 45269232
4-chloro-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 70681006
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 134137371

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide (CID 12881532) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide?
The InChIKey is SLVMSTQNCGGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-10-4-3-5-11(2)14(10)15(22)19-17-21-20-16(23-17)12-6-8-13(18)9-7-12/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide has a molecular weight of 343.84 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide is sourced from PubChem (CID 12881532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).