3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide

C16H12F3N3OS2 — CID 110428723

IUPAC3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C16H12F3N3OS2/c17-8-3-4-9(14(19)13(8)18)21-12(23)6-5-11-15(22-16(20)25-11)10-2-1-7-24-10/h1-4,7H,5-6H2,(H2,20,22)(H,21,23)
InChIKeyFBLSJUVMLKRKTJ-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.44
Rot. Bonds5

About 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 110428723) has the molecular formula C16H12F3N3OS2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID110428723
Molecular FormulaC16H12F3N3OS2
Molecular Weight383.42 g/mol
Exact Mass383.04
IUPAC Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESNc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C16H12F3N3OS2/c17-8-3-4-9(14(19)13(8)18)21-12(23)6-5-11-15(22-16(20)25-11)10-2-1-7-24-10/h1-4,7H,5-6H2,(H2,20,22)(H,21,23)
InChIKeyFBLSJUVMLKRKTJ-UHFFFAOYSA-N
XLogP4.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide (CID 110428723) is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide is Nc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(F)c(F)c2F)s1.
What is the InChIKey of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is FBLSJUVMLKRKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS2/c17-8-3-4-9(14(19)13(8)18)21-12(23)6-5-11-15(22-16(20)25-11)10-2-1-7-24-10/h1-4,7H,5-6H2,(H2,20,22)(H,21,23).
What are the key properties of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide?
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 383.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 110428723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).