N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

C11H9Cl2N3OS — CID 711646

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C11H9Cl2N3OS/c1-6(17)14-11-16-15-10(18-11)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4H2,1H3,(H,14,16,17)
InChIKeyIWQICCSKMCNYAY-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.39
Rot. Bonds3

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 711646) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID711646
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C11H9Cl2N3OS/c1-6(17)14-11-16-15-10(18-11)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4H2,1H3,(H,14,16,17)
InChIKeyIWQICCSKMCNYAY-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide
CID 157016593
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 2258431
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91842512
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
(2S)-2-(2,4-dichlorophenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1080658
2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2278160
1-[5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
CID 2278464
4-(2,4-dichlorophenoxy)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 17319755
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide
CID 82176238

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 711646) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is IWQICCSKMCNYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6(17)14-11-16-15-10(18-11)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4H2,1H3,(H,14,16,17).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 302.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 711646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).