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

C12H11Cl2N3OS2 — CID 3343317

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H11Cl2N3OS2/c1-7-16-17-12(20-7)19-6-11(18)15-5-8-2-3-9(13)4-10(8)14/h2-4H,5-6H2,1H3,(H,15,18)
InChIKeyYUMIUJDWUVXVBL-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.56
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3343317) has the molecular formula C12H11Cl2N3OS2 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID3343317
Molecular FormulaC12H11Cl2N3OS2
Molecular Weight348.28 g/mol
Exact Mass346.97
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H11Cl2N3OS2/c1-7-16-17-12(20-7)19-6-11(18)15-5-8-2-3-9(13)4-10(8)14/h2-4H,5-6H2,1H3,(H,15,18)
InChIKeyYUMIUJDWUVXVBL-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 804017
N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 891795
N-(5-chloro-2-hydroxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2235184
5-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46327874
N-[(2,4-dichlorophenyl)methyl]-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41416593
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763193
2-(4-chlorophenoxy)-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]acetohydrazide
CID 2567469
N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 40833310
N-[(2,4-dichlorophenyl)methyl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7262940
N-[(2,4-dichlorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26018814
N-(2-benzoyl-4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2110361
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide
CID 3995958

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 3343317) is N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is YUMIUJDWUVXVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS2/c1-7-16-17-12(20-7)19-6-11(18)15-5-8-2-3-9(13)4-10(8)14/h2-4H,5-6H2,1H3,(H,15,18).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 348.28 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3343317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).