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

C17H15F3N4OS — CID 1222112

IUPACN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C)nc1-c1ccccc1
InChIInChI=1S/C17H15F3N4OS/c1-10-8-13(17(18,19)20)23-24(10)9-14(25)21-16-22-15(11(2)26-16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,21,22,25)
InChIKeyWFNIFBXDMCORBL-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.28
Rot. Bonds4

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

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 1222112) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID1222112
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C)nc1-c1ccccc1
InChIInChI=1S/C17H15F3N4OS/c1-10-8-13(17(18,19)20)23-24(10)9-14(25)21-16-22-15(11(2)26-16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,21,22,25)
InChIKeyWFNIFBXDMCORBL-UHFFFAOYSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 1222112) is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C)nc1-c1ccccc1.
What is the InChIKey of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is WFNIFBXDMCORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-10-8-13(17(18,19)20)23-24(10)9-14(25)21-16-22-15(11(2)26-16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,21,22,25).
What are the key properties of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 1222112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).