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

C14H15F3N4OS — CID 138027759

IUPACN-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1nccs1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)13-9-3-1-2-4-10(9)21(20-13)8-11(22)19-7-12-18-5-6-23-12/h5-6H,1-4,7-8H2,(H,19,22)
InChIKeyZNUVZRYEIWFEBU-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.55
Rot. Bonds4

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

N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 138027759) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID138027759
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1nccs1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)13-9-3-1-2-4-10(9)21(20-13)8-11(22)19-7-12-18-5-6-23-12/h5-6H,1-4,7-8H2,(H,19,22)
InChIKeyZNUVZRYEIWFEBU-UHFFFAOYSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(3-phenylpropyl) thiazole-2-carboxamide
CID 155882946
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-fluorophenethyl) thiazole-2-carboxamide
CID 155882954
4-(3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)-N-(4-phenylbutyl) thiazole-2-carboxamide
CID 155882961
N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
CID 138027757
N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267474
N-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58267502
N,N-Dimethyl-2-{[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]methyl}-1,3-thiazole-4-carboxamide
CID 58267578
N,N-diethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58267596
N-propan-2-yl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 66874718
N-(3-amino-3-oxopropyl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 66874940
2-[[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole
CID 154128025
N-[1-(7-fluorocyclohepta-1,4,6-trien-1-yl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide
CID 166795198

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 138027759) is N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is ZNUVZRYEIWFEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)13-9-3-1-2-4-10(9)21(20-13)8-11(22)19-7-12-18-5-6-23-12/h5-6H,1-4,7-8H2,(H,19,22).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 138027759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).