N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide

C13H13F3N4O2S — CID 167815530

IUPACN-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCOC2)NCc1ccns1
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)12-9-7-22-4-2-10(9)20(19-12)6-11(21)17-5-8-1-3-18-23-8/h1,3H,2,4-7H2,(H,17,21)
InChIKeyIQTVTOYMZQVVDR-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.75
Rot. Bonds4

About N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide

N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide (PubChem CID 167815530) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
PubChem CID167815530
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC NameN-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCOC2)NCc1ccns1
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)12-9-7-22-4-2-10(9)20(19-12)6-11(21)17-5-8-1-3-18-23-8/h1,3H,2,4-7H2,(H,17,21)
InChIKeyIQTVTOYMZQVVDR-UHFFFAOYSA-N
XLogP1.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
CID 138027757

Frequently Asked Questions

What is the IUPAC name of N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The IUPAC name of N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide (CID 167815530) is N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)NCc1ccns1.
What is the InChIKey of N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
The InChIKey is IQTVTOYMZQVVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c14-13(15,16)12-9-7-22-4-2-10(9)20(19-12)6-11(21)17-5-8-1-3-18-23-8/h1,3H,2,4-7H2,(H,17,21).
What are the key properties of N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide?
N-(1,2-thiazol-5-ylmethyl)-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 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-thiazol-5-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide is sourced from PubChem (CID 167815530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).