N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

C19H14F3N3O3S — CID 30940556

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H14F3N3O3S/c20-19(21,22)11-2-1-3-12(6-11)24-18-25-14(9-29-18)8-17(26)23-13-4-5-15-16(7-13)28-10-27-15/h1-7,9H,8,10H2,(H,23,26)(H,24,25)
InChIKeyRQPLHYHVLINDER-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.82
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 30940556) has the molecular formula C19H14F3N3O3S and a molecular weight of 421.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
PubChem CID30940556
Molecular FormulaC19H14F3N3O3S
Molecular Weight421.40 g/mol
Exact Mass421.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H14F3N3O3S/c20-19(21,22)11-2-1-3-12(6-11)24-18-25-14(9-29-18)8-17(26)23-13-4-5-15-16(7-13)28-10-27-15/h1-7,9H,8,10H2,(H,23,26)(H,24,25)
InChIKeyRQPLHYHVLINDER-UHFFFAOYSA-N
XLogP4.82
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (CID 30940556) is N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is RQPLHYHVLINDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S/c20-19(21,22)11-2-1-3-12(6-11)24-18-25-14(9-29-18)8-17(26)23-13-4-5-15-16(7-13)28-10-27-15/h1-7,9H,8,10H2,(H,23,26)(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 421.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30940556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).