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

C16H10Cl2FN3OS — CID 7096008

IUPACN-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H10Cl2FN3OS/c17-10-3-6-12(13(18)8-10)15-21-22-16(24-15)20-14(23)7-9-1-4-11(19)5-2-9/h1-6,8H,7H2,(H,20,22,23)
InChIKeyDCIFQERLPUBGON-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.83
Rot. Bonds4

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

N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 7096008) has the molecular formula C16H10Cl2FN3OS and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID7096008
Molecular FormulaC16H10Cl2FN3OS
Molecular Weight382.25 g/mol
Exact Mass380.99
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H10Cl2FN3OS/c17-10-3-6-12(13(18)8-10)15-21-22-16(24-15)20-14(23)7-9-1-4-11(19)5-2-9/h1-6,8H,7H2,(H,20,22,23)
InChIKeyDCIFQERLPUBGON-UHFFFAOYSA-N
XLogP4.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 976096
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 91183107
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 697557
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 1078967
2-(3-bromo-4-fluorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 60526736

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 7096008) is N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is DCIFQERLPUBGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3OS/c17-10-3-6-12(13(18)8-10)15-21-22-16(24-15)20-14(23)7-9-1-4-11(19)5-2-9/h1-6,8H,7H2,(H,20,22,23).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 382.25 g/mol, XLogP of 4.83, 4 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)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7096008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).