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

C11H7F3N6OS2 — CID 55830581

IUPAC2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3nnc(C(F)(F)F)s3)cs2)cn1
InChIInChI=1S/C11H7F3N6OS2/c1-20-3-5(2-15-20)8-16-6(4-22-8)7(21)17-10-19-18-9(23-10)11(12,13)14/h2-4H,1H3,(H,17,19,21)
InChIKeySNOJPLUCQXZXPT-UHFFFAOYSA-N
MW360.35 g/mol
LogP2.67
Rot. Bonds3

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

2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 55830581) has the molecular formula C11H7F3N6OS2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID55830581
Molecular FormulaC11H7F3N6OS2
Molecular Weight360.35 g/mol
Exact Mass360.01
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3nnc(C(F)(F)F)s3)cs2)cn1
InChIInChI=1S/C11H7F3N6OS2/c1-20-3-5(2-15-20)8-16-6(4-22-8)7(21)17-10-19-18-9(23-10)11(12,13)14/h2-4H,1H3,(H,17,19,21)
InChIKeySNOJPLUCQXZXPT-UHFFFAOYSA-N
XLogP2.67
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 55830581) is 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3nnc(C(F)(F)F)s3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SNOJPLUCQXZXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6OS2/c1-20-3-5(2-15-20)8-16-6(4-22-8)7(21)17-10-19-18-9(23-10)11(12,13)14/h2-4H,1H3,(H,17,19,21).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 360.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55830581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).