N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H11F3N4OS — CID 19530981

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1nc(NC(=O)Cn2ccc(C(F)(F)F)n2)sc1C
InChIInChI=1S/C11H11F3N4OS/c1-6-7(2)20-10(15-6)16-9(19)5-18-4-3-8(17-18)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,16,19)
InChIKeyBXILPWBPZGWANJ-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.61
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530981) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530981
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1nc(NC(=O)Cn2ccc(C(F)(F)F)n2)sc1C
InChIInChI=1S/C11H11F3N4OS/c1-6-7(2)20-10(15-6)16-9(19)5-18-4-3-8(17-18)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,16,19)
InChIKeyBXILPWBPZGWANJ-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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530981) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1nc(NC(=O)Cn2ccc(C(F)(F)F)n2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is BXILPWBPZGWANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-6-7(2)20-10(15-6)16-9(19)5-18-4-3-8(17-18)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,16,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).