N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide

C18H16F2N4OS2 — CID 126664199

IUPACN-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide
SMILESC=C(C)c1sc(NC(=O)Cc2c(F)cccc2F)nc1-c1sc(C)nc1N
InChIInChI=1S/C18H16F2N4OS2/c1-8(2)15-14(16-17(21)22-9(3)26-16)24-18(27-15)23-13(25)7-10-11(19)5-4-6-12(10)20/h4-6H,1,7,21H2,2-3H3,(H,23,24,25)
InChIKeyQRUSMOJMHCIXHW-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.65
Rot. Bonds5

About N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide

N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide (PubChem CID 126664199) has the molecular formula C18H16F2N4OS2 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide
PubChem CID126664199
Molecular FormulaC18H16F2N4OS2
Molecular Weight406.48 g/mol
Exact Mass406.07
IUPAC NameN-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide
SMILESC=C(C)c1sc(NC(=O)Cc2c(F)cccc2F)nc1-c1sc(C)nc1N
InChIInChI=1S/C18H16F2N4OS2/c1-8(2)15-14(16-17(21)22-9(3)26-16)24-18(27-15)23-13(25)7-10-11(19)5-4-6-12(10)20/h4-6H,1,7,21H2,2-3H3,(H,23,24,25)
InChIKeyQRUSMOJMHCIXHW-UHFFFAOYSA-N
XLogP4.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide (CID 126664199) is N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide is C=C(C)c1sc(NC(=O)Cc2c(F)cccc2F)nc1-c1sc(C)nc1N.
What is the InChIKey of N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide?
The InChIKey is QRUSMOJMHCIXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4OS2/c1-8(2)15-14(16-17(21)22-9(3)26-16)24-18(27-15)23-13(25)7-10-11(19)5-4-6-12(10)20/h4-6H,1,7,21H2,2-3H3,(H,23,24,25).
What are the key properties of N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide?
N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide has a molecular weight of 406.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-methyl-1,3-thiazol-5-yl)-5-prop-1-en-2-yl-1,3-thiazol-2-yl]-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 126664199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).