N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide

C11H7ClF3N3OS — CID 7576779

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H7ClF3N3OS/c1-5-9(20-18-17-5)10(19)16-6-2-3-8(12)7(4-6)11(13,14)15/h2-4H,1H3,(H,16,19)
InChIKeyQYONJCSAFBUBFO-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.77
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 7576779) has the molecular formula C11H7ClF3N3OS and a molecular weight of 321.71 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID7576779
Molecular FormulaC11H7ClF3N3OS
Molecular Weight321.71 g/mol
Exact Mass321.00
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H7ClF3N3OS/c1-5-9(20-18-17-5)10(19)16-6-2-3-8(12)7(4-6)11(13,14)15/h2-4H,1H3,(H,16,19)
InChIKeyQYONJCSAFBUBFO-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 17013766
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
CID 174391939
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
1-[2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118732493

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide (CID 7576779) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is QYONJCSAFBUBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3OS/c1-5-9(20-18-17-5)10(19)16-6-2-3-8(12)7(4-6)11(13,14)15/h2-4H,1H3,(H,16,19).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 321.71 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).