N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide

C12H11ClFN3OS — CID 7576834

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H11ClFN3OS/c1-7-11(19-16-15-7)12(18)17(2)6-8-9(13)4-3-5-10(8)14/h3-5H,6H2,1-2H3
InChIKeyRZJKDXLQHSDIOI-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.91
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide (PubChem CID 7576834) has the molecular formula C12H11ClFN3OS and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide
PubChem CID7576834
Molecular FormulaC12H11ClFN3OS
Molecular Weight299.76 g/mol
Exact Mass299.03
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H11ClFN3OS/c1-7-11(19-16-15-7)12(18)17(2)6-8-9(13)4-3-5-10(8)14/h3-5H,6H2,1-2H3
InChIKeyRZJKDXLQHSDIOI-UHFFFAOYSA-N
XLogP2.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide 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-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide (CID 7576834) is N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide?
The InChIKey is RZJKDXLQHSDIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3OS/c1-7-11(19-16-15-7)12(18)17(2)6-8-9(13)4-3-5-10(8)14/h3-5H,6H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).