N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H11F3N4OS — CID 35293154

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cnc(NC(=O)Cn2nc(C(F)(F)F)cc2C)s1
InChIInChI=1S/C11H11F3N4OS/c1-6-3-8(11(12,13)14)17-18(6)5-9(19)16-10-15-4-7(2)20-10/h3-4H,5H2,1-2H3,(H,15,16,19)
InChIKeyQPGDCLXMJSOZHH-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.61
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 35293154) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID35293154
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cnc(NC(=O)Cn2nc(C(F)(F)F)cc2C)s1
InChIInChI=1S/C11H11F3N4OS/c1-6-3-8(11(12,13)14)17-18(6)5-9(19)16-10-15-4-7(2)20-10/h3-4H,5H2,1-2H3,(H,15,16,19)
InChIKeyQPGDCLXMJSOZHH-UHFFFAOYSA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 35293154) is N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cnc(NC(=O)Cn2nc(C(F)(F)F)cc2C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QPGDCLXMJSOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-6-3-8(11(12,13)14)17-18(6)5-9(19)16-10-15-4-7(2)20-10/h3-4H,5H2,1-2H3,(H,15,16,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 304.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 35293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).