N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide

C13H13F3N4O2S — CID 138026083

IUPACN-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)c1nccs1
InChIInChI=1S/C13H13F3N4O2S/c1-19(12-17-3-5-23-12)10(21)6-20-9-2-4-22-7-8(9)11(18-20)13(14,15)16/h3,5H,2,4,6-7H2,1H3
InChIKeyZTJVQWVKBRMJAH-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.09
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide

N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide (PubChem CID 138026083) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
PubChem CID138026083
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)c1nccs1
InChIInChI=1S/C13H13F3N4O2S/c1-19(12-17-3-5-23-12)10(21)6-20-9-2-4-22-7-8(9)11(18-20)13(14,15)16/h3,5H,2,4,6-7H2,1H3
InChIKeyZTJVQWVKBRMJAH-UHFFFAOYSA-N
XLogP2.09
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide (CID 138026083) is N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide is CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The InChIKey is ZTJVQWVKBRMJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-19(12-17-3-5-23-12)10(21)6-20-9-2-4-22-7-8(9)11(18-20)13(14,15)16/h3,5H,2,4,6-7H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide has a molecular weight of 346.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide is sourced from PubChem (CID 138026083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).