2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C13H13Cl2N3OS — CID 18093734

IUPAC2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H13Cl2N3OS/c1-7(2)12-17-18-13(20-12)16-11(19)6-8-9(14)4-3-5-10(8)15/h3-5,7H,6H2,1-2H3,(H,16,18,19)
InChIKeyCPZCOKAJEXYQJK-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.15
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 18093734) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID18093734
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H13Cl2N3OS/c1-7(2)12-17-18-13(20-12)16-11(19)6-8-9(14)4-3-5-10(8)15/h3-5,7H,6H2,1-2H3,(H,16,18,19)
InChIKeyCPZCOKAJEXYQJK-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38782502
2-(2,4-dimethylquinolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 32624129
2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170794
1-(2-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 110439821
3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119949175
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100588216
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472377
3-(2,6-dichlorophenyl)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100604789
N-(3-bromophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1416510
3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18093778

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 18093734) is 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CPZCOKAJEXYQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-7(2)12-17-18-13(20-12)16-11(19)6-8-9(14)4-3-5-10(8)15/h3-5,7H,6H2,1-2H3,(H,16,18,19).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 330.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 18093734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).