N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C14H15BrFN3OS — CID 115909486

IUPACN-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNc2ccc(F)c(Br)c2)cs1
InChIInChI=1S/C14H15BrFN3OS/c1-3-19(9(2)20)14-18-11(8-21-14)7-17-10-4-5-13(16)12(15)6-10/h4-6,8,17H,3,7H2,1-2H3
InChIKeyWOARRSCXKJDUBB-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.03
Rot. Bonds5

About N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 115909486) has the molecular formula C14H15BrFN3OS and a molecular weight of 372.26 g/mol. Its IUPAC name is N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID115909486
Molecular FormulaC14H15BrFN3OS
Molecular Weight372.26 g/mol
Exact Mass371.01
IUPAC NameN-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNc2ccc(F)c(Br)c2)cs1
InChIInChI=1S/C14H15BrFN3OS/c1-3-19(9(2)20)14-18-11(8-21-14)7-17-10-4-5-13(16)12(15)6-10/h4-6,8,17H,3,7H2,1-2H3
InChIKeyWOARRSCXKJDUBB-UHFFFAOYSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 115909486) is N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CNc2ccc(F)c(Br)c2)cs1.
What is the InChIKey of N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is WOARRSCXKJDUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3OS/c1-3-19(9(2)20)14-18-11(8-21-14)7-17-10-4-5-13(16)12(15)6-10/h4-6,8,17H,3,7H2,1-2H3.
What are the key properties of N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 372.26 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 115909486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).