2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide

C18H17F3N4OS2 — CID 46473451

IUPAC2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H17F3N4OS2/c19-18(20,21)13-2-3-15(24-9-13)22-5-1-6-23-16(26)8-14-11-28-17(25-14)12-4-7-27-10-12/h2-4,7,9-11H,1,5-6,8H2,(H,22,24)(H,23,26)
InChIKeyLODDHMBHMLIWHT-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.45
Rot. Bonds8

About 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide

2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide (PubChem CID 46473451) has the molecular formula C18H17F3N4OS2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide
PubChem CID46473451
Molecular FormulaC18H17F3N4OS2
Molecular Weight426.49 g/mol
Exact Mass426.08
IUPAC Name2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H17F3N4OS2/c19-18(20,21)13-2-3-15(24-9-13)22-5-1-6-23-16(26)8-14-11-28-17(25-14)12-4-7-27-10-12/h2-4,7,9-11H,1,5-6,8H2,(H,22,24)(H,23,26)
InChIKeyLODDHMBHMLIWHT-UHFFFAOYSA-N
XLogP4.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 166187850
N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 114751577
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide?
The IUPAC name of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide (CID 46473451) is 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide.
What is the SMILES notation for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide?
The canonical SMILES for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide is O=C(Cc1csc(-c2ccsc2)n1)NCCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide?
The InChIKey is LODDHMBHMLIWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS2/c19-18(20,21)13-2-3-15(24-9-13)22-5-1-6-23-16(26)8-14-11-28-17(25-14)12-4-7-27-10-12/h2-4,7,9-11H,1,5-6,8H2,(H,22,24)(H,23,26).
What are the key properties of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide?
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide has a molecular weight of 426.49 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]acetamide is sourced from PubChem (CID 46473451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).