N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide

C16H9F3N2O3S — CID 71778697

IUPACN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H9F3N2O3S/c17-16(18,19)9-2-1-3-12-13(9)20-15(25-12)21-14(22)8-4-5-10-11(6-8)24-7-23-10/h1-6H,7H2,(H,20,21,22)
InChIKeyGKKNQDJZGKFESH-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.30
Rot. Bonds2

About N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 71778697) has the molecular formula C16H9F3N2O3S and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID71778697
Molecular FormulaC16H9F3N2O3S
Molecular Weight366.32 g/mol
Exact Mass366.03
IUPAC NameN-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H9F3N2O3S/c17-16(18,19)9-2-1-3-12-13(9)20-15(25-12)21-14(22)8-4-5-10-11(6-8)24-7-23-10/h1-6H,7H2,(H,20,21,22)
InChIKeyGKKNQDJZGKFESH-UHFFFAOYSA-N
XLogP4.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121028811
4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028845
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 4913591
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 154766225
2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028941
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 45283580
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 40959608
N-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1,3-benzodioxole-5-carboxamide
CID 10269870

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CID 71778697) is N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GKKNQDJZGKFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O3S/c17-16(18,19)9-2-1-3-12-13(9)20-15(25-12)21-14(22)8-4-5-10-11(6-8)24-7-23-10/h1-6H,7H2,(H,20,21,22).
What are the key properties of N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 366.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 71778697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).