2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C11H6Cl2F3N3OS — CID 38782502

IUPAC2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H6Cl2F3N3OS/c12-6-2-1-3-7(13)5(6)4-8(20)17-10-19-18-9(21-10)11(14,15)16/h1-3H,4H2,(H,17,19,20)
InChIKeyOROWBPCSJZTMPN-UHFFFAOYSA-N
MW356.16 g/mol
LogP4.04
Rot. Bonds3

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

2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 38782502) has the molecular formula C11H6Cl2F3N3OS and a molecular weight of 356.16 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID38782502
Molecular FormulaC11H6Cl2F3N3OS
Molecular Weight356.16 g/mol
Exact Mass354.96
IUPAC Name2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H6Cl2F3N3OS/c12-6-2-1-3-7(13)5(6)4-8(20)17-10-19-18-9(21-10)11(14,15)16/h1-3H,4H2,(H,17,19,20)
InChIKeyOROWBPCSJZTMPN-UHFFFAOYSA-N
XLogP4.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 697557
2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18093734
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide
CID 55830322
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
3-pyridin-4-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 60507342
2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 2471351
5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2225350
8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydrochromene-2-carboxamide
CID 167239799

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 38782502) is 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1c(Cl)cccc1Cl)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OROWBPCSJZTMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3OS/c12-6-2-1-3-7(13)5(6)4-8(20)17-10-19-18-9(21-10)11(14,15)16/h1-3H,4H2,(H,17,19,20).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 356.16 g/mol, XLogP of 4.04, 3 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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 38782502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).