N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C11H6F5N3OS — CID 16574832

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1nnc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)s1
InChIInChI=1S/C11H6F5N3OS/c1-3-18-19-11(21-3)17-5(20)2-4-6(12)8(14)10(16)9(15)7(4)13/h2H2,1H3,(H,17,19,20)
InChIKeyHUICNHVUAPOSGE-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.72
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 16574832) has the molecular formula C11H6F5N3OS and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID16574832
Molecular FormulaC11H6F5N3OS
Molecular Weight323.25 g/mol
Exact Mass323.02
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1nnc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)s1
InChIInChI=1S/C11H6F5N3OS/c1-3-18-19-11(21-3)17-5(20)2-4-6(12)8(14)10(16)9(15)7(4)13/h2H2,1H3,(H,17,19,20)
InChIKeyHUICNHVUAPOSGE-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
2-(2,3,4,5,6-pentafluorophenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 24555010
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
CID 6965716
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18077203
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115624585
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24524482
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6989665
4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 103156755

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 16574832) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is Cc1nnc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is HUICNHVUAPOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F5N3OS/c1-3-18-19-11(21-3)17-5(20)2-4-6(12)8(14)10(16)9(15)7(4)13/h2H2,1H3,(H,17,19,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 323.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 16574832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).