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

C13H7F3N4OS2 — CID 47061239

IUPACN-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnns1
InChIInChI=1S/C13H7F3N4OS2/c14-13(15,16)8-3-1-2-7(4-8)9-6-22-12(18-9)19-11(21)10-5-17-20-23-10/h1-6H,(H,18,19,21)
InChIKeyXDKIYMCRANVHNB-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.93
Rot. Bonds3

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

N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 47061239) has the molecular formula C13H7F3N4OS2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID47061239
Molecular FormulaC13H7F3N4OS2
Molecular Weight356.35 g/mol
Exact Mass356.00
IUPAC NameN-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnns1
InChIInChI=1S/C13H7F3N4OS2/c14-13(15,16)8-3-1-2-7(4-8)9-6-22-12(18-9)19-11(21)10-5-17-20-23-10/h1-6H,(H,18,19,21)
InChIKeyXDKIYMCRANVHNB-UHFFFAOYSA-N
XLogP3.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 62056845
3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094787
3-bromo-5-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094788
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629
2-amino-5-piperidin-1-yl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 86705207
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (CID 47061239) is N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnns1.
What is the InChIKey of N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is XDKIYMCRANVHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4OS2/c14-13(15,16)8-3-1-2-7(4-8)9-6-22-12(18-9)19-11(21)10-5-17-20-23-10/h1-6H,(H,18,19,21).
What are the key properties of N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47061239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).