N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C9H7F3N4OS2 — CID 84560077

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2scnc2C(F)(F)F)s1
InChIInChI=1S/C9H7F3N4OS2/c1-2-4-15-16-8(19-4)14-7(17)5-6(9(10,11)12)13-3-18-5/h3H,2H2,1H3,(H,14,16,17)
InChIKeyKMOYEYLZFDODRK-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.83
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84560077) has the molecular formula C9H7F3N4OS2 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84560077
Molecular FormulaC9H7F3N4OS2
Molecular Weight308.31 g/mol
Exact Mass308.00
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2scnc2C(F)(F)F)s1
InChIInChI=1S/C9H7F3N4OS2/c1-2-4-15-16-8(19-4)14-7(17)5-6(9(10,11)12)13-3-18-5/h3H,2H2,1H3,(H,14,16,17)
InChIKeyKMOYEYLZFDODRK-UHFFFAOYSA-N
XLogP2.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84560077) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCc1nnc(NC(=O)c2scnc2C(F)(F)F)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KMOYEYLZFDODRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS2/c1-2-4-15-16-8(19-4)14-7(17)5-6(9(10,11)12)13-3-18-5/h3H,2H2,1H3,(H,14,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84560077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).