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

C11H9Cl2N3OS — CID 47259850

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1cnsn1
InChIInChI=1S/C11H9Cl2N3OS/c1-16(11(17)9-5-14-18-15-9)6-7-3-2-4-8(12)10(7)13/h2-5H,6H2,1H3
InChIKeyZFUHBCQYTNRCFB-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.12
Rot. Bonds3

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

N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 47259850) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID47259850
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1cnsn1
InChIInChI=1S/C11H9Cl2N3OS/c1-16(11(17)9-5-14-18-15-9)6-7-3-2-4-8(12)10(7)13/h2-5H,6H2,1H3
InChIKeyZFUHBCQYTNRCFB-UHFFFAOYSA-N
XLogP3.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625917
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105094942
4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55179183
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
2-[methyl(1,2,5-thiadiazole-3-carbonyl)amino]acetic acid
CID 43522539
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 55328835

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide (CID 47259850) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1cnsn1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ZFUHBCQYTNRCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-16(11(17)9-5-14-18-15-9)6-7-3-2-4-8(12)10(7)13/h2-5H,6H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 302.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 47259850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).