4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C14H8F3N3O2S — CID 4875332

IUPAC4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccnn1-c1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)12-3-4-18-20(12)13-19-9(6-23-13)8-1-2-10-11(5-8)22-7-21-10/h1-6H,7H2
InChIKeyDQEVWBILXMUYRR-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.74
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 4875332) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID4875332
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccnn1-c1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)12-3-4-18-20(12)13-19-9(6-23-13)8-1-2-10-11(5-8)22-7-21-10/h1-6H,7H2
InChIKeyDQEVWBILXMUYRR-UHFFFAOYSA-N
XLogP3.74
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 2525060
4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
CID 60528777
N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 2525034
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61336491
4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558243
4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 8961741
N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide
CID 25282236
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 141141772
4-(1,3-benzodioxol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566810
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole
CID 8008780

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 4875332) is 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1ccnn1-c1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is DQEVWBILXMUYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)12-3-4-18-20(12)13-19-9(6-23-13)8-1-2-10-11(5-8)22-7-21-10/h1-6H,7H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 339.30 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 4875332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).