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

C18H14FN3O3S — CID 27377852

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14FN3O3S/c19-11-1-3-12(4-2-11)21-18-22-14(9-26-18)8-17(23)20-13-5-6-15-16(7-13)25-10-24-15/h1-7,9H,8,10H2,(H,20,23)(H,21,22)
InChIKeyCCFURYMFNFWQAS-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.94
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 27377852) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID27377852
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14FN3O3S/c19-11-1-3-12(4-2-11)21-18-22-14(9-26-18)8-17(23)20-13-5-6-15-16(7-13)25-10-24-15/h1-7,9H,8,10H2,(H,20,23)(H,21,22)
InChIKeyCCFURYMFNFWQAS-UHFFFAOYSA-N
XLogP3.94
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.94
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-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (CID 27377852) is N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is CCFURYMFNFWQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-11-1-3-12(4-2-11)21-18-22-14(9-26-18)8-17(23)20-13-5-6-15-16(7-13)25-10-24-15/h1-7,9H,8,10H2,(H,20,23)(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.94, 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-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27377852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).