4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide

C8H5F3N4OS2 — CID 60507215

IUPAC4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4OS2/c1-3-4(17-2-12-3)5(16)13-7-15-14-6(18-7)8(9,10)11/h2H,1H3,(H,13,15,16)
InChIKeyIDQBZCGQZIRJPO-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.57
Rot. Bonds2

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

4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 60507215) has the molecular formula C8H5F3N4OS2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID60507215
Molecular FormulaC8H5F3N4OS2
Molecular Weight294.28 g/mol
Exact Mass293.99
IUPAC Name4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4OS2/c1-3-4(17-2-12-3)5(16)13-7-15-14-6(18-7)8(9,10)11/h2H,1H3,(H,13,15,16)
InChIKeyIDQBZCGQZIRJPO-UHFFFAOYSA-N
XLogP2.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 60507215) is 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is IDQBZCGQZIRJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS2/c1-3-4(17-2-12-3)5(16)13-7-15-14-6(18-7)8(9,10)11/h2H,1H3,(H,13,15,16).
What are the key properties of 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60507215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).