5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

C10H5ClF3N3OS — CID 80625234

IUPAC5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1nnc(Cl)s1
InChIInChI=1S/C10H5ClF3N3OS/c11-9-17-16-8(19-9)7(18)15-6-3-1-2-5(4-6)10(12,13)14/h1-4H,(H,15,18)
InChIKeyHCQIMZATWXYSDI-UHFFFAOYSA-N
MW307.68 g/mol
LogP3.46
Rot. Bonds2

About 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625234) has the molecular formula C10H5ClF3N3OS and a molecular weight of 307.68 g/mol. Its IUPAC name is 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625234
Molecular FormulaC10H5ClF3N3OS
Molecular Weight307.68 g/mol
Exact Mass306.98
IUPAC Name5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1nnc(Cl)s1
InChIInChI=1S/C10H5ClF3N3OS/c11-9-17-16-8(19-9)7(18)15-6-3-1-2-5(4-6)10(12,13)14/h1-4H,(H,15,18)
InChIKeyHCQIMZATWXYSDI-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
CID 82812057
3-bromo-5-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107951405
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391456
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618282
N-(3-fluorophenyl)-5-[(2R)-1-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070591
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617817
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 80625234) is 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HCQIMZATWXYSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3OS/c11-9-17-16-8(19-9)7(18)15-6-3-1-2-5(4-6)10(12,13)14/h1-4H,(H,15,18).
What are the key properties of 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 307.68 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).