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

C10H9F3N4OS2 — CID 84560173

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2scnc2C(F)(F)F)s1
InChIInChI=1S/C10H9F3N4OS2/c1-4(2)8-16-17-9(20-8)15-7(18)5-6(10(11,12)13)14-3-19-5/h3-4H,1-2H3,(H,15,17,18)
InChIKeyUQYLWBXGLUNWLR-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.39
Rot. Bonds3

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84560173) has the molecular formula C10H9F3N4OS2 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84560173
Molecular FormulaC10H9F3N4OS2
Molecular Weight322.34 g/mol
Exact Mass322.02
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2scnc2C(F)(F)F)s1
InChIInChI=1S/C10H9F3N4OS2/c1-4(2)8-16-17-9(20-8)15-7(18)5-6(10(11,12)13)14-3-19-5/h3-4H,1-2H3,(H,15,17,18)
InChIKeyUQYLWBXGLUNWLR-UHFFFAOYSA-N
XLogP3.39
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84560173) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)c1nnc(NC(=O)c2scnc2C(F)(F)F)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UQYLWBXGLUNWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS2/c1-4(2)8-16-17-9(20-8)15-7(18)5-6(10(11,12)13)14-3-19-5/h3-4H,1-2H3,(H,15,17,18).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84560173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).