N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C14H15F3N4OS — CID 138026084

IUPACN-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1nccs1
InChIInChI=1S/C14H15F3N4OS/c1-20(13-18-6-7-23-13)11(22)8-21-10-5-3-2-4-9(10)12(19-21)14(15,16)17/h6-7H,2-5,8H2,1H3
InChIKeyUYIUGOAFPBZDMW-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 138026084) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID138026084
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1nccs1
InChIInChI=1S/C14H15F3N4OS/c1-20(13-18-6-7-23-13)11(22)8-21-10-5-3-2-4-9(10)12(19-21)14(15,16)17/h6-7H,2-5,8H2,1H3
InChIKeyUYIUGOAFPBZDMW-UHFFFAOYSA-N
XLogP2.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 138026084) is N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is UYIUGOAFPBZDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-20(13-18-6-7-23-13)11(22)8-21-10-5-3-2-4-9(10)12(19-21)14(15,16)17/h6-7H,2-5,8H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 138026084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).