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

C13H13F3N4O2S — CID 155954736

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCc1nc2c(s1)COCC2
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)10-1-3-20(19-10)6-11(21)17-5-12-18-8-2-4-22-7-9(8)23-12/h1,3H,2,4-7H2,(H,17,21)
InChIKeyCBBPUJKWLHMYRB-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.75
Rot. Bonds4

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

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 155954736) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID155954736
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCc1nc2c(s1)COCC2
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)10-1-3-20(19-10)6-11(21)17-5-12-18-8-2-4-22-7-9(8)23-12/h1,3H,2,4-7H2,(H,17,21)
InChIKeyCBBPUJKWLHMYRB-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
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 53597126
N-(1,3-thiazol-4-ylmethyl)-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
CID 138025167
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 71794768
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 146145007

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 155954736) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCc1nc2c(s1)COCC2.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is CBBPUJKWLHMYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c14-13(15,16)10-1-3-20(19-10)6-11(21)17-5-12-18-8-2-4-22-7-9(8)23-12/h1,3H,2,4-7H2,(H,17,21).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)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-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 155954736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).