5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

C11H8Cl3N3OS — CID 80625917

IUPAC5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H8Cl3N3OS/c1-17(10(18)9-15-16-11(14)19-9)5-6-3-2-4-7(12)8(6)13/h2-4H,5H2,1H3
InChIKeyDEZDSRNKCJOSCB-UHFFFAOYSA-N
MW336.63 g/mol
LogP3.77
Rot. Bonds3

About 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625917) has the molecular formula C11H8Cl3N3OS and a molecular weight of 336.63 g/mol. Its IUPAC name is 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625917
Molecular FormulaC11H8Cl3N3OS
Molecular Weight336.63 g/mol
Exact Mass334.95
IUPAC Name5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H8Cl3N3OS/c1-17(10(18)9-15-16-11(14)19-9)5-6-3-2-4-7(12)8(6)13/h2-4H,5H2,1H3
InChIKeyDEZDSRNKCJOSCB-UHFFFAOYSA-N
XLogP3.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.63
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617794
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625597
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625900
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 47259850
5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625427
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80625917) is 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DEZDSRNKCJOSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3OS/c1-17(10(18)9-15-16-11(14)19-9)5-6-3-2-4-7(12)8(6)13/h2-4H,5H2,1H3.
What are the key properties of 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 336.63 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).