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

C14H9F3N4OS2 — CID 47059650

IUPACN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cnns1
InChIInChI=1S/C14H9F3N4OS2/c15-14(16,17)9-3-1-2-8(4-9)5-10-6-18-13(23-10)20-12(22)11-7-19-21-24-11/h1-4,6-7H,5H2,(H,18,20,22)
InChIKeyVHGAWOBWAZYFMK-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.86
Rot. Bonds4

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

N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 47059650) has the molecular formula C14H9F3N4OS2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID47059650
Molecular FormulaC14H9F3N4OS2
Molecular Weight370.38 g/mol
Exact Mass370.02
IUPAC NameN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cnns1
InChIInChI=1S/C14H9F3N4OS2/c15-14(16,17)9-3-1-2-8(4-9)5-10-6-18-13(23-10)20-12(22)11-7-19-21-24-11/h1-4,6-7H,5H2,(H,18,20,22)
InChIKeyVHGAWOBWAZYFMK-UHFFFAOYSA-N
XLogP3.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6490726
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
2,3-dimethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 24575784
3-ethyl-1-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 46970156
6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 45267552
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
4-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122074596
(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120920488
4-(imidazol-1-ylmethyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55719248
4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 37038345

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (CID 47059650) is N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cnns1.
What is the InChIKey of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is VHGAWOBWAZYFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4OS2/c15-14(16,17)9-3-1-2-8(4-9)5-10-6-18-13(23-10)20-12(22)11-7-19-21-24-11/h1-4,6-7H,5H2,(H,18,20,22).
What are the key properties of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47059650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).