N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide

C11H6ClF4N3OS — CID 135153544

IUPACN-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)F)c1)c1snnc1C(F)F
InChIInChI=1S/C11H6ClF4N3OS/c12-6-2-1-4(3-5(6)9(13)14)17-11(20)8-7(10(15)16)18-19-21-8/h1-3,9-10H,(H,17,20)
InChIKeyIYWPUUALUODJHQ-UHFFFAOYSA-N
MW339.70 g/mol
LogP4.32
Rot. Bonds4

About N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide

N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide (PubChem CID 135153544) has the molecular formula C11H6ClF4N3OS and a molecular weight of 339.70 g/mol. Its IUPAC name is N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide
PubChem CID135153544
Molecular FormulaC11H6ClF4N3OS
Molecular Weight339.70 g/mol
Exact Mass338.99
IUPAC NameN-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)F)c1)c1snnc1C(F)F
InChIInChI=1S/C11H6ClF4N3OS/c12-6-2-1-4(3-5(6)9(13)14)17-11(20)8-7(10(15)16)18-19-21-8/h1-3,9-10H,(H,17,20)
InChIKeyIYWPUUALUODJHQ-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-(difluoromethyl)thiadiazole-5-carbothioamide
CID 135153521
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
N-(3-carbamothioyl-4-fluorophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204324
N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
CID 174391939
N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752070
N-[3-(hydroxymethyl)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204481
N-(3-carbamothioylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204613
N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 79766714
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(4-acetylphenyl)-4-chlorothiadiazole-5-carboxamide
CID 3338737

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide (CID 135153544) is N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide is O=C(Nc1ccc(Cl)c(C(F)F)c1)c1snnc1C(F)F.
What is the InChIKey of N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide?
The InChIKey is IYWPUUALUODJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4N3OS/c12-6-2-1-4(3-5(6)9(13)14)17-11(20)8-7(10(15)16)18-19-21-8/h1-3,9-10H,(H,17,20).
What are the key properties of N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide?
N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide has a molecular weight of 339.70 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(difluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 135153544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).